N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C27H29N5O2 — CID 42471928

IUPACN-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1ccncc1
InChIInChI=1S/C27H29N5O2/c1-20-6-3-4-7-23(20)17-24-26(27(34)30-10-5-14-31-15-13-29-19-31)25(33)16-21(2)32(24)18-22-8-11-28-12-9-22/h3-4,6-9,11-13,15-16,19H,5,10,14,17-18H2,1-2H3,(H,30,34)
InChIKeyODNGENIKTSDFTE-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.52
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 42471928) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID42471928
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1ccncc1
InChIInChI=1S/C27H29N5O2/c1-20-6-3-4-7-23(20)17-24-26(27(34)30-10-5-14-31-15-13-29-19-31)25(33)16-21(2)32(24)18-22-8-11-28-12-9-22/h3-4,6-9,11-13,15-16,19H,5,10,14,17-18H2,1-2H3,(H,30,34)
InChIKeyODNGENIKTSDFTE-UHFFFAOYSA-N
XLogP3.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-benzyl-4-(3-imidazol-1-ylpropylcarbamoyl)-3,5-dimethylpyrrole-2-carboxylate
CID 43954500
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
N-(furan-2-ylmethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 118756559
6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42407329
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778
N-(3-imidazol-1-ylpropyl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 57383679

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 42471928) is N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide is Cc1ccccc1Cc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1ccncc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ODNGENIKTSDFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-20-6-3-4-7-23(20)17-24-26(27(34)30-10-5-14-31-15-13-29-19-31)25(33)16-21(2)32(24)18-22-8-11-28-12-9-22/h3-4,6-9,11-13,15-16,19H,5,10,14,17-18H2,1-2H3,(H,30,34).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42471928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).