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

C49H62F3N19O6 — CID 172980890

IUPACN-[(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
SMILESCC(C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncccc1C(=O)O.C[C@H](N)C(F)(F)F
InChIInChI=1S/C17H18N6O2.C12H18N6O.C10H13N5.C7H7NO3.C3H6F3N/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11-6-5(7(9)10)3-2-4-8-6;1-2(7)3(4,5)6/h4-11H,1-3H3,(H,20,21,24);5-9H,1-4H3,(H,16,19);3-7H,1-2H3,(H2,11,13);2-4H,1H3,(H,9,10);2H,7H2,1H3/b;13-8?,14-9+;;;/t;;;;2-/m....0/s1
InChIKeyUNHQJNZUDRIHSF-DUMAOBEZSA-N
MW1070.16 g/mol
LogP6.30
Rot. Bonds14

About 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

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 (PubChem CID 172980890) has the molecular formula C49H62F3N19O6 and a molecular weight of 1070.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID172980890
Molecular FormulaC49H62F3N19O6
Molecular Weight1070.16 g/mol
Exact Mass1069.51
IUPAC NameN-[(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
SMILESCC(C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncccc1C(=O)O.C[C@H](N)C(F)(F)F
InChIInChI=1S/C17H18N6O2.C12H18N6O.C10H13N5.C7H7NO3.C3H6F3N/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11-6-5(7(9)10)3-2-4-8-6;1-2(7)3(4,5)6/h4-11H,1-3H3,(H,20,21,24);5-9H,1-4H3,(H,16,19);3-7H,1-2H3,(H2,11,13);2-4H,1H3,(H,9,10);2H,7H2,1H3/b;13-8?,14-9+;;;/t;;;;2-/m....0/s1
InChIKeyUNHQJNZUDRIHSF-DUMAOBEZSA-N
XLogP6.30
TPSA323.07 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.16
LogP ≤ 56.30
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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384518
Methyl 2-[4-[3-(6-formamidopyridin-2-yl)-1,2,4-triazol-4-yl]pentoxy]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146381517
N-[6-[4-[(2S)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 156274009
N-[6-[4-(1,1-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 156274010
2-methoxy-5-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 156274013
N-[6-[4-[(2R)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-2-methoxypyridine-3-carboxamide
CID 156274015
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-(2-aminoethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[2-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157578095
5-[2-(3,5-Dimethylanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylic acid;methyl 5-[2-(3,5-dimethylanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxylate
CID 158524763
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
5-[(6-Amino-3-pyridinyl)methyl]-3-but-2-ynyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-5-[(2-methoxy-3-pyridinyl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-5-(2-oxo-2-pyridin-4-ylethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;methane;methyl 6-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]pyridine-3-carboxylate;tetrakis(2,2,2-trifluoroacetic acid)
CID 162264160

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1cnnc1-c1cccc(N)n1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncccc1C(=O)O.C[C@H](N)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is UNHQJNZUDRIHSF-DUMAOBEZSA-N. The full InChI is InChI=1S/C17H18N6O2.C12H18N6O.C10H13N5.C7H7NO3.C3H6F3N/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11-6-5(7(9)10)3-2-4-8-6;1-2(7)3(4,5)6/h4-11H,1-3H3,(H,20,21,24);5-9H,1-4H3,(H,16,19);3-7H,1-2H3,(H2,11,13);2-4H,1H3,(H,9,10);2H,7H2,1H3/b;13-8?,14-9+;;;/t;;;;2-/m....0/s1.
What are the key properties of 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?
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 has a molecular weight of 1070.16 g/mol, XLogP of 6.30, 14 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-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 is sourced from PubChem (CID 172980890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).