N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

C55H77N19O6 — CID 172934600

IUPACN-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCC(C)[C@H](C)N.CC(C)[C@H](C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1.COc1ncccc1C(=O)O
InChIInChI=1S/C19H22N6O2.C12H18N6O.C12H17N5.C7H7NO3.C5H13N/c1-12(2)13(3)25-11-21-24-17(25)15-8-5-9-16(22-15)23-18(26)14-7-6-10-20-19(14)27-4;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-8(2)9(3)17-7-14-16-12(17)10-5-4-6-11(13)15-10;1-11-6-5(7(9)10)3-2-4-8-6;1-4(2)5(3)6/h5-13H,1-4H3,(H,22,23,26);5-9H,1-4H3,(H,16,19);4-9H,1-3H3,(H2,13,15);2-4H,1H3,(H,9,10);4-5H,6H2,1-3H3/b;13-8?,14-9+;;;/t13-;;9-;;5-/m0.0.0/s1
InChIKeyFRCIRNWBJBULNS-HEXZWPCASA-N
MW1100.35 g/mol
LogP7.67
Rot. Bonds17

About N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 172934600) has the molecular formula C55H77N19O6 and a molecular weight of 1100.35 g/mol. Its IUPAC name is N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID172934600
Molecular FormulaC55H77N19O6
Molecular Weight1100.35 g/mol
Exact Mass1099.63
IUPAC NameN-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCC(C)[C@H](C)N.CC(C)[C@H](C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1.COc1ncccc1C(=O)O
InChIInChI=1S/C19H22N6O2.C12H18N6O.C12H17N5.C7H7NO3.C5H13N/c1-12(2)13(3)25-11-21-24-17(25)15-8-5-9-16(22-15)23-18(26)14-7-6-10-20-19(14)27-4;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-8(2)9(3)17-7-14-16-12(17)10-5-4-6-11(13)15-10;1-11-6-5(7(9)10)3-2-4-8-6;1-4(2)5(3)6/h5-13H,1-4H3,(H,22,23,26);5-9H,1-4H3,(H,16,19);4-9H,1-3H3,(H2,13,15);2-4H,1H3,(H,9,10);4-5H,6H2,1-3H3/b;13-8?,14-9+;;;/t13-;;9-;;5-/m0.0.0/s1
InChIKeyFRCIRNWBJBULNS-HEXZWPCASA-N
XLogP7.67
TPSA323.07 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001100.35
LogP ≤ 57.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine with MolForge

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Related Compounds

2-amino-1-(6-amino-2-pyridinyl)ethanone;1,1-dimethoxy-N,N-dimethylmethanamine;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;methyl 6-aminopyridine-2-carboxylate;1,1,1-trifluoropropan-2-amine;6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157492903
N-[6-[4-[(1S)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[6-[4-[(1R)-2,2-difluorocyclobutyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 161882063
5-fluoro-2-methoxypyridine-3-carboxylic acid;5-fluoro-2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 162034112
2,2-difluorocyclobutan-1-amine;6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-amine;N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid
CID 172960001
N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxypyridine-3-carboxylic acid;2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 172963785
N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;(2S)-1,1,1-trifluoropropan-2-amine;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 172975529
N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;(2S)-1,1,1-trifluoropropan-2-amine
CID 172980890
6-[[2-[[6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-4-pyridinyl]oxy]pyridine-3-carboxylic acid
CID 135348064
2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384506
2-methoxy-N-[6-[4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 156274017
2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 157477618
cyclobutanamine;6-(4-cyclobutyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclobutyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;2-methoxypyridine-3-carboxylic acid
CID 157853171

Frequently Asked Questions

What is the IUPAC name of N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 172934600) is N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is CC(C)[C@H](C)N.CC(C)[C@H](C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1.COc1ncccc1C(=O)O.
What is the InChIKey of N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is FRCIRNWBJBULNS-HEXZWPCASA-N. The full InChI is InChI=1S/C19H22N6O2.C12H18N6O.C12H17N5.C7H7NO3.C5H13N/c1-12(2)13(3)25-11-21-24-17(25)15-8-5-9-16(22-15)23-18(26)14-7-6-10-20-19(14)27-4;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-8(2)9(3)17-7-14-16-12(17)10-5-4-6-11(13)15-10;1-11-6-5(7(9)10)3-2-4-8-6;1-4(2)5(3)6/h5-13H,1-4H3,(H,22,23,26);5-9H,1-4H3,(H,16,19);4-9H,1-3H3,(H2,13,15);2-4H,1H3,(H,9,10);4-5H,6H2,1-3H3/b;13-8?,14-9+;;;/t13-;;9-;;5-/m0.0.0/s1.
What are the key properties of N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine?
N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 1100.35 g/mol, XLogP of 7.67, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;(2S)-3-methylbutan-2-amine;6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 172934600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).