N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C27H27N7O4 — CID 3332179

IUPACN-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c(C2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)n1
InChIInChI=1S/C27H27N7O4/c1-18-3-8-23(26(35)30-20-4-6-21(7-5-20)33-14-11-28-17-33)25(29-18)19-9-12-32(13-10-19)27(36)24-15-22(34(37)38)16-31(24)2/h3-8,11,14-17,19H,9-10,12-13H2,1-2H3,(H,30,35)
InChIKeyKVQPQAMGFULRTQ-UHFFFAOYSA-N
MW513.56 g/mol
LogP4.09
Rot. Bonds6

About N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 3332179) has the molecular formula C27H27N7O4 and a molecular weight of 513.56 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID3332179
Molecular FormulaC27H27N7O4
Molecular Weight513.56 g/mol
Exact Mass513.21
IUPAC NameN-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c(C2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)n1
InChIInChI=1S/C27H27N7O4/c1-18-3-8-23(26(35)30-20-4-6-21(7-5-20)33-14-11-28-17-33)25(29-18)19-9-12-32(13-10-19)27(36)24-15-22(34(37)38)16-31(24)2/h3-8,11,14-17,19H,9-10,12-13H2,1-2H3,(H,30,35)
InChIKeyKVQPQAMGFULRTQ-UHFFFAOYSA-N
XLogP4.09
TPSA128.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]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

N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3702850
N-(4-imidazol-1-ylphenyl)-2-[1-[3-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3532984
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3787919
2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3809794
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
CID 46044675
N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42868039
[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42852080
(4-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 114680315
(2-fluoro-4-nitrophenyl)-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 4999895
N-(4-imidazol-1-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170761844
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341
(3-bromopyrrolidin-1-yl)-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 80677707

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 3332179) is N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c(C2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)n1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KVQPQAMGFULRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O4/c1-18-3-8-23(26(35)30-20-4-6-21(7-5-20)33-14-11-28-17-33)25(29-18)19-9-12-32(13-10-19)27(36)24-15-22(34(37)38)16-31(24)2/h3-8,11,14-17,19H,9-10,12-13H2,1-2H3,(H,30,35).
What are the key properties of N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 513.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3332179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).