N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide

C20H22N4O — CID 42796385

IUPACN-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cnc[nH]1)C(=O)c1ccncc1
InChIInChI=1S/C20H22N4O/c1-16(7-8-17-5-3-2-4-6-17)24(14-19-13-22-15-23-19)20(25)18-9-11-21-12-10-18/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,22,23)
InChIKeyAPXKEZAQEUJNNB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide

N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 42796385) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
PubChem CID42796385
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cnc[nH]1)C(=O)c1ccncc1
InChIInChI=1S/C20H22N4O/c1-16(7-8-17-5-3-2-4-6-17)24(14-19-13-22-15-23-19)20(25)18-9-11-21-12-10-18/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,22,23)
InChIKeyAPXKEZAQEUJNNB-UHFFFAOYSA-N
XLogP3.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
CID 42796388
N-(1H-imidazol-2-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42786814
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
(2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 21129682
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
CID 42796393
2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 161184673
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
CID 70183155

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide (CID 42796385) is N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide is CC(CCc1ccccc1)N(Cc1cnc[nH]1)C(=O)c1ccncc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is APXKEZAQEUJNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16(7-8-17-5-3-2-4-6-17)24(14-19-13-22-15-23-19)20(25)18-9-11-21-12-10-18/h2-6,9-13,15-16H,7-8,14H2,1H3,(H,22,23).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 42796385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).