N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide

C26H30N6O4 — CID 3787919

IUPACN-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1
InChIInChI=1S/C26H30N6O4/c1-18-4-6-21(32(35)36)16-23(18)26(34)31-13-8-20(9-14-31)24-22(7-5-19(2)29-24)25(33)28-10-3-12-30-15-11-27-17-30/h4-7,11,15-17,20H,3,8-10,12-14H2,1-2H3,(H,28,33)
InChIKeyFKBVAYQCDBWUEO-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.64
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 3787919) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID3787919
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1
InChIInChI=1S/C26H30N6O4/c1-18-4-6-21(32(35)36)16-23(18)26(34)31-13-8-20(9-14-31)24-22(7-5-19(2)29-24)25(33)28-10-3-12-30-15-11-27-17-30/h4-7,11,15-17,20H,3,8-10,12-14H2,1-2H3,(H,28,33)
InChIKeyFKBVAYQCDBWUEO-UHFFFAOYSA-N
XLogP3.64
TPSA123.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)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

2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3596851
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6177910
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3470783
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3789960
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(pent-3-enoylamino)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3310878
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 4994763
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3804624
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 5010235
2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 74229207
N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(1-methyl-4-nitropyrrole-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3332179
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
2-fluoro-N-(2-imidazol-1-ylethyl)-5-nitrobenzamide
CID 61325737

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 3787919) is N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCn2ccnc2)c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FKBVAYQCDBWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-18-4-6-21(32(35)36)16-23(18)26(34)31-13-8-20(9-14-31)24-22(7-5-19(2)29-24)25(33)28-10-3-12-30-15-11-27-17-30/h4-7,11,15-17,20H,3,8-10,12-14H2,1-2H3,(H,28,33).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3787919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).