N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine

C30H29ClF3N9O3 — CID 158056596

IUPACN-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine
SMILESCN(C)c1ccc([N+](=O)[O-])c(N)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1
InChIInChI=1S/C22H18ClF3N6O.C8H11N3O2/c1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20;1-10(2)6-3-4-8(11(12)13)7(9)5-6/h4-10H,1-3H3,(H,29,33)(H,30,31);3-5H,9H2,1-2H3
InChIKeyFKCZEJRLFXZKEH-UHFFFAOYSA-N
MW656.07 g/mol
LogP6.56
Rot. Bonds6

About N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine

N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine (PubChem CID 158056596) has the molecular formula C30H29ClF3N9O3 and a molecular weight of 656.07 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine
PubChem CID158056596
Molecular FormulaC30H29ClF3N9O3
Molecular Weight656.07 g/mol
Exact Mass655.20
IUPAC NameN-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine
SMILESCN(C)c1ccc([N+](=O)[O-])c(N)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1
InChIInChI=1S/C22H18ClF3N6O.C8H11N3O2/c1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20;1-10(2)6-3-4-8(11(12)13)7(9)5-6/h4-10H,1-3H3,(H,29,33)(H,30,31);3-5H,9H2,1-2H3
InChIKeyFKCZEJRLFXZKEH-UHFFFAOYSA-N
XLogP6.56
TPSA159.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.07
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine 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

Azsmo-23
CID 1831449
5-chloro-N-methyl-6-(4-(6-(trifluoromethyl)-1H-benzo[d]-imidazol-2-yl)piperazin-1-yl)nicotinamide
CID 10410905
N-(3-(1H-benzo[d]imidazol-2-yl)-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 11502886
N-(4-chloro-3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 11525105
5-chloro-6-(4-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-piperazin-1-yl)nicotinamide
CID 11661809
N-(4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 25217563
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 73330891
N-(4-chloro-3-methylphenyl)-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 73331039
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 73331185
4-chloro-N-[3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 73331464
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 118720157
2-[[5-chloro-2-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
CID 154640715

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine?
The IUPAC name of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine (CID 158056596) is N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine.
What is the SMILES notation for N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine?
The canonical SMILES for N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine is CN(C)c1ccc([N+](=O)[O-])c(N)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine?
The InChIKey is FKCZEJRLFXZKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N6O.C8H11N3O2/c1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20;1-10(2)6-3-4-8(11(12)13)7(9)5-6/h4-10H,1-3H3,(H,29,33)(H,30,31);3-5H,9H2,1-2H3.
What are the key properties of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine?
N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine has a molecular weight of 656.07 g/mol, XLogP of 6.56, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine is sourced from PubChem (CID 158056596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).