N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide

C22H25ClN6O — CID 71025360

IUPACN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(NC[C@@H]4CCCN4)nc3)ccc2Cl)n1C
InChIInChI=1S/C22H25ClN6O/c1-14-11-27-21(29(14)2)18-10-16(6-7-19(18)23)28-22(30)15-5-8-20(25-12-15)26-13-17-4-3-9-24-17/h5-8,10-12,17,24H,3-4,9,13H2,1-2H3,(H,25,26)(H,28,30)/t17-/m0/s1
InChIKeyOOAFFWQQJXAIGJ-KRWDZBQOSA-N
MW424.94 g/mol
LogP3.86
Rot. Bonds6

About N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide

N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide (PubChem CID 71025360) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
PubChem CID71025360
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC NameN-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(NC[C@@H]4CCCN4)nc3)ccc2Cl)n1C
InChIInChI=1S/C22H25ClN6O/c1-14-11-27-21(29(14)2)18-10-16(6-7-19(18)23)28-22(30)15-5-8-20(25-12-15)26-13-17-4-3-9-24-17/h5-8,10-12,17,24H,3-4,9,13H2,1-2H3,(H,25,26)(H,28,30)/t17-/m0/s1
InChIKeyOOAFFWQQJXAIGJ-KRWDZBQOSA-N
XLogP3.86
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide 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

6-[(3-amino-3-methylbutyl)amino]-N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71025359
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 71025382
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide
CID 71025336
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[(3-cyanophenyl)methoxy]pyridine-3-carboxamide
CID 143772018
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid
CID 17389918
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542199
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide
CID 143198886
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide (CID 71025360) is N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide is Cc1cnc(-c2cc(NC(=O)c3ccc(NC[C@@H]4CCCN4)nc3)ccc2Cl)n1C.
What is the InChIKey of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is OOAFFWQQJXAIGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-14-11-27-21(29(14)2)18-10-16(6-7-19(18)23)28-22(30)15-5-8-20(25-12-15)26-13-17-4-3-9-24-17/h5-8,10-12,17,24H,3-4,9,13H2,1-2H3,(H,25,26)(H,28,30)/t17-/m0/s1.
What are the key properties of N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide?
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 424.94 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 71025360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).