2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine

C77H89Br4N11O10SSn — CID 164957163

IUPAC2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine
SMILESBrc1cc(-c2ncco2)ccn1.Brc1cc(-c2ncco2)ccn1.CC(C)CN.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(C)CNC(=O)c1ccnc(Br)c1.O=C(O)c1ccnc(Br)c1
InChIInChI=1S/C29H24N3O4S.C10H13BrN2O2.2C8H5BrN2O.C6H4BrNO2.C4H11N.3C4H9.Sn/c1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-7(15-2)6-13-10(14)8-3-4-12-9(11)5-8;2*9-7-5-6(1-2-10-7)8-11-3-4-12-8;7-5-3-4(6(9)10)1-2-8-5;1-4(2)3-5;3*1-3-4-2;/h2-17,19H,20-21H2,1H3;3-5,7H,6H2,1-2H3,(H,13,14);2*1-5H;1-3H,(H,9,10);4H,3,5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyBIHIYGVMHHKBMO-UHFFFAOYSA-N
MW1799.02 g/mol
LogP18.07
Rot. Bonds26

About 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine

2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine (PubChem CID 164957163) has the molecular formula C77H89Br4N11O10SSn and a molecular weight of 1799.02 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine.

Molecular Properties

Compound Name2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine
PubChem CID164957163
Molecular FormulaC77H89Br4N11O10SSn
Molecular Weight1799.02 g/mol
Exact Mass1795.23
IUPAC Name2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine
SMILESBrc1cc(-c2ncco2)ccn1.Brc1cc(-c2ncco2)ccn1.CC(C)CN.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(C)CNC(=O)c1ccnc(Br)c1.O=C(O)c1ccnc(Br)c1
InChIInChI=1S/C29H24N3O4S.C10H13BrN2O2.2C8H5BrN2O.C6H4BrNO2.C4H11N.3C4H9.Sn/c1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-7(15-2)6-13-10(14)8-3-4-12-9(11)5-8;2*9-7-5-6(1-2-10-7)8-11-3-4-12-8;7-5-3-4(6(9)10)1-2-8-5;1-4(2)3-5;3*1-3-4-2;/h2-17,19H,20-21H2,1H3;3-5,7H,6H2,1-2H3,(H,13,14);2*1-5H;1-3H,(H,9,10);4H,3,5H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyBIHIYGVMHHKBMO-UHFFFAOYSA-N
XLogP18.07
TPSA286.77 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001799.02
LogP ≤ 518.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine with MolForge

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Related Compounds

1-bromo-2-fluorobenzene;3-bromo-2-fluorobenzoic acid;3-bromo-2-fluoro-N-(2-methoxypropyl)benzamide;2-(3-bromo-2-fluorophenyl)-1,3-oxazole;bis(2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole);2-methoxypropan-1-amine;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158126009
2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine
CID 160328232

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine?
The IUPAC name of 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine (CID 164957163) is 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine.
What is the SMILES notation for 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine?
The canonical SMILES for 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine is Brc1cc(-c2ncco2)ccn1.Brc1cc(-c2ncco2)ccn1.CC(C)CN.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(C)CNC(=O)c1ccnc(Br)c1.O=C(O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine?
The InChIKey is BIHIYGVMHHKBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N3O4S.C10H13BrN2O2.2C8H5BrN2O.C6H4BrNO2.C4H11N.3C4H9.Sn/c1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-7(15-2)6-13-10(14)8-3-4-12-9(11)5-8;2*9-7-5-6(1-2-10-7)8-11-3-4-12-8;7-5-3-4(6(9)10)1-2-8-5;1-4(2)3-5;3*1-3-4-2;/h2-17,19H,20-21H2,1H3;3-5,7H,6H2,1-2H3,(H,13,14);2*1-5H;1-3H,(H,9,10);4H,3,5H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine?
2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine has a molecular weight of 1799.02 g/mol, XLogP of 18.07, 26 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxypropyl)pyridine-4-carboxamide;2-bromopyridine-4-carboxylic acid;bis(2-(2-bromo-4-pyridinyl)-1,3-oxazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;2-methylpropan-1-amine is sourced from PubChem (CID 164957163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).