bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine

C91H101BrCl3N23O11 — CID 159252228

IUPACbis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine
SMILESCOc1c(Cl)cccc1Nc1cc(Cc2ccc(C(=O)N3CCCC3)c(C)n2)nc2c1C(=O)N(C)C2.COc1c(Cl)cccc1Nc1cc(Cl)nc2c1C(=O)N(C)C2.Cc1nc(N)ccc1Br.Cc1nc(N)ccc1C(=O)N1CCCC1.Cc1nc(N)ccc1C(=O)N1CCCC1.Cc1nc(N)ccc1C(=O)O.Cc1nc(N)ccc1C(=O)O.[C-]#[N+]c1ccc(N)nc1C
InChIInChI=1S/C27H28ClN5O3.C15H13Cl2N3O2.2C11H15N3O.C7H7N3.2C7H8N2O2.C6H7BrN2/c1-16-19(26(34)33-11-4-5-12-33)10-9-17(29-16)13-18-14-22(24-23(30-18)15-32(2)27(24)35)31-21-8-6-7-20(28)25(21)36-3;1-20-7-11-13(15(20)21)10(6-12(17)19-11)18-9-5-3-4-8(16)14(9)22-2;2*1-8-9(4-5-10(12)13-8)11(15)14-6-2-3-7-14;1-5-6(9-2)3-4-7(8)10-5;2*1-4-5(7(10)11)2-3-6(8)9-4;1-4-5(7)2-3-6(8)9-4/h6-10,14H,4-5,11-13,15H2,1-3H3,(H,30,31);3-6H,7H2,1-2H3,(H,18,19);2*4-5H,2-3,6-7H2,1H3,(H2,12,13);3-4H,1H3,(H2,8,10);2*2-3H,1H3,(H2,8,9)(H,10,11);2-3H,1H3,(H2,8,9)
InChIKeyKVLDDHGYZCNZGF-UHFFFAOYSA-N
MW1879.22 g/mol
LogP15.34
Rot. Bonds13

About bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine

bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine (PubChem CID 159252228) has the molecular formula C91H101BrCl3N23O11 and a molecular weight of 1879.22 g/mol. Its IUPAC name is bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine.

Molecular Properties

Compound Namebis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine
PubChem CID159252228
Molecular FormulaC91H101BrCl3N23O11
Molecular Weight1879.22 g/mol
Exact Mass1875.63
IUPAC Namebis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine
SMILESCOc1c(Cl)cccc1Nc1cc(Cc2ccc(C(=O)N3CCCC3)c(C)n2)nc2c1C(=O)N(C)C2.COc1c(Cl)cccc1Nc1cc(Cl)nc2c1C(=O)N(C)C2.Cc1nc(N)ccc1Br.Cc1nc(N)ccc1C(=O)N1CCCC1.Cc1nc(N)ccc1C(=O)N1CCCC1.Cc1nc(N)ccc1C(=O)O.Cc1nc(N)ccc1C(=O)O.[C-]#[N+]c1ccc(N)nc1C
InChIInChI=1S/C27H28ClN5O3.C15H13Cl2N3O2.2C11H15N3O.C7H7N3.2C7H8N2O2.C6H7BrN2/c1-16-19(26(34)33-11-4-5-12-33)10-9-17(29-16)13-18-14-22(24-23(30-18)15-32(2)27(24)35)31-21-8-6-7-20(28)25(21)36-3;1-20-7-11-13(15(20)21)10(6-12(17)19-11)18-9-5-3-4-8(16)14(9)22-2;2*1-8-9(4-5-10(12)13-8)11(15)14-6-2-3-7-14;1-5-6(9-2)3-4-7(8)10-5;2*1-4-5(7(10)11)2-3-6(8)9-4;1-4-5(7)2-3-6(8)9-4/h6-10,14H,4-5,11-13,15H2,1-3H3,(H,30,31);3-6H,7H2,1-2H3,(H,18,19);2*4-5H,2-3,6-7H2,1H3,(H2,12,13);3-4H,1H3,(H2,8,10);2*2-3H,1H3,(H2,8,9)(H,10,11);2-3H,1H3,(H2,8,9)
InChIKeyKVLDDHGYZCNZGF-UHFFFAOYSA-N
XLogP15.34
TPSA495.16 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001879.22
LogP ≤ 515.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine?
The IUPAC name of bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine (CID 159252228) is bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine.
What is the SMILES notation for bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine?
The canonical SMILES for bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine is COc1c(Cl)cccc1Nc1cc(Cc2ccc(C(=O)N3CCCC3)c(C)n2)nc2c1C(=O)N(C)C2.COc1c(Cl)cccc1Nc1cc(Cl)nc2c1C(=O)N(C)C2.Cc1nc(N)ccc1Br.Cc1nc(N)ccc1C(=O)N1CCCC1.Cc1nc(N)ccc1C(=O)N1CCCC1.Cc1nc(N)ccc1C(=O)O.Cc1nc(N)ccc1C(=O)O.[C-]#[N+]c1ccc(N)nc1C.
What is the InChIKey of bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine?
The InChIKey is KVLDDHGYZCNZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O3.C15H13Cl2N3O2.2C11H15N3O.C7H7N3.2C7H8N2O2.C6H7BrN2/c1-16-19(26(34)33-11-4-5-12-33)10-9-17(29-16)13-18-14-22(24-23(30-18)15-32(2)27(24)35)31-21-8-6-7-20(28)25(21)36-3;1-20-7-11-13(15(20)21)10(6-12(17)19-11)18-9-5-3-4-8(16)14(9)22-2;2*1-8-9(4-5-10(12)13-8)11(15)14-6-2-3-7-14;1-5-6(9-2)3-4-7(8)10-5;2*1-4-5(7(10)11)2-3-6(8)9-4;1-4-5(7)2-3-6(8)9-4/h6-10,14H,4-5,11-13,15H2,1-3H3,(H,30,31);3-6H,7H2,1-2H3,(H,18,19);2*4-5H,2-3,6-7H2,1H3,(H2,12,13);3-4H,1H3,(H2,8,10);2*2-3H,1H3,(H2,8,9)(H,10,11);2-3H,1H3,(H2,8,9).
What are the key properties of bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine?
bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine has a molecular weight of 1879.22 g/mol, XLogP of 15.34, 13 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-amino-2-methylpyridine-3-carboxylic acid);bis((6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone);5-bromo-6-methylpyridin-2-amine;2-chloro-4-(3-chloro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-chloro-2-methoxyanilino)-6-methyl-2-[[6-methyl-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-isocyano-6-methylpyridin-2-amine is sourced from PubChem (CID 159252228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).