bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)

C113H124BBr2ClN22O31 — CID 159211889

IUPACbis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)
SMILESCOC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.O=C(Cl)C1CC1.O=C(O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.OB(O)c1ccoc1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1
InChIInChI=1S/2C15H18N2O4.C15H14N2O4.2C14H15N5O3.C14H16N2O4.C11H11BrN2O3.C7H7BrN2O2.C4H5BO3.C4H5ClO/c3*1-20-15(19)13-11(10-6-7-21-8-10)4-5-12(16-13)17-14(18)9-2-3-9;2*15-19-18-14(21)12-10(9-5-6-22-7-9)3-4-11(16-12)17-13(20)8-1-2-8;17-13(8-1-2-8)16-11-4-3-10(9-5-6-20-7-9)12(15-11)14(18)19;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h2*4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,18);4-9H,2-3H2,1H3,(H,16,17,18);2*3-4,8-9H,1-2,5-7H2,(H,16,17,20);3-4,8-9H,1-2,5-7H2,(H,18,19)(H,15,16,17);4-6H,2-3H2,1H3,(H,13,14,15);2-3H,1H3,(H2,9,10);1-3,6-7H;3H,1-2H2
InChIKeyKQPABAYXBCCRQA-UHFFFAOYSA-N
MW2492.43 g/mol
LogP15.63
Rot. Bonds30

About bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)

bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) (PubChem CID 159211889) has the molecular formula C113H124BBr2ClN22O31 and a molecular weight of 2492.43 g/mol. Its IUPAC name is bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate).

Molecular Properties

Compound Namebis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)
PubChem CID159211889
Molecular FormulaC113H124BBr2ClN22O31
Molecular Weight2492.43 g/mol
Exact Mass2488.70
IUPAC Namebis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)
SMILESCOC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.O=C(Cl)C1CC1.O=C(O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.OB(O)c1ccoc1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1
InChIInChI=1S/2C15H18N2O4.C15H14N2O4.2C14H15N5O3.C14H16N2O4.C11H11BrN2O3.C7H7BrN2O2.C4H5BO3.C4H5ClO/c3*1-20-15(19)13-11(10-6-7-21-8-10)4-5-12(16-13)17-14(18)9-2-3-9;2*15-19-18-14(21)12-10(9-5-6-22-7-9)3-4-11(16-12)17-13(20)8-1-2-8;17-13(8-1-2-8)16-11-4-3-10(9-5-6-20-7-9)12(15-11)14(18)19;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h2*4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,18);4-9H,2-3H2,1H3,(H,16,17,18);2*3-4,8-9H,1-2,5-7H2,(H,16,17,20);3-4,8-9H,1-2,5-7H2,(H,18,19)(H,15,16,17);4-6H,2-3H2,1H3,(H,13,14,15);2-3H,1H3,(H2,9,10);1-3,6-7H;3H,1-2H2
InChIKeyKQPABAYXBCCRQA-UHFFFAOYSA-N
XLogP15.63
TPSA763.26 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.43
LogP ≤ 515.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
The IUPAC name of bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) (CID 159211889) is bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate).
What is the SMILES notation for bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
The canonical SMILES for bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) is COC(=O)c1nc(N)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.COC(=O)c1nc(NC(=O)C2CC2)ccc1Br.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.COC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.O=C(Cl)C1CC1.O=C(O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.OB(O)c1ccoc1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.[N-]=[N+]=NC(=O)c1nc(NC(=O)C2CC2)ccc1C1CCOC1.
What is the InChIKey of bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
The InChIKey is KQPABAYXBCCRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N2O4.C15H14N2O4.2C14H15N5O3.C14H16N2O4.C11H11BrN2O3.C7H7BrN2O2.C4H5BO3.C4H5ClO/c3*1-20-15(19)13-11(10-6-7-21-8-10)4-5-12(16-13)17-14(18)9-2-3-9;2*15-19-18-14(21)12-10(9-5-6-22-7-9)3-4-11(16-12)17-13(20)8-1-2-8;17-13(8-1-2-8)16-11-4-3-10(9-5-6-20-7-9)12(15-11)14(18)19;1-17-11(16)9-7(12)4-5-8(13-9)14-10(15)6-2-3-6;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h2*4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,18);4-9H,2-3H2,1H3,(H,16,17,18);2*3-4,8-9H,1-2,5-7H2,(H,16,17,20);3-4,8-9H,1-2,5-7H2,(H,18,19)(H,15,16,17);4-6H,2-3H2,1H3,(H,13,14,15);2-3H,1H3,(H2,9,10);1-3,6-7H;3H,1-2H2.
What are the key properties of bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate)?
bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) has a molecular weight of 2492.43 g/mol, XLogP of 15.63, 30 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carbonyl azide);6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylic acid;cyclopropanecarbonyl chloride;furan-3-ylboronic acid;methyl 6-amino-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(cyclopropanecarbonylamino)pyridine-2-carboxylate;methyl 6-(cyclopropanecarbonylamino)-3-(furan-3-yl)pyridine-2-carboxylate;bis(methyl 6-(cyclopropanecarbonylamino)-3-(oxolan-3-yl)pyridine-2-carboxylate) is sourced from PubChem (CID 159211889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).