1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide

C26H33N5O2 — CID 134316237

IUPAC1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCC(C)N3CCCCC3)cn2Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C26H33N5O2/c1-19-14-22(17-29(3)26(19)33)24-28-23(18-31(24)16-21-10-6-4-7-11-21)25(32)27-15-20(2)30-12-8-5-9-13-30/h4,6-7,10-11,14,17-18,20H,5,8-9,12-13,15-16H2,1-3H3,(H,27,32)
InChIKeyBINYIRRHWYPZKO-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.21
Rot. Bonds7

About 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide

1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide (PubChem CID 134316237) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide
PubChem CID134316237
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)NCC(C)N3CCCCC3)cn2Cc2ccccc2)cn(C)c1=O
InChIInChI=1S/C26H33N5O2/c1-19-14-22(17-29(3)26(19)33)24-28-23(18-31(24)16-21-10-6-4-7-11-21)25(32)27-15-20(2)30-12-8-5-9-13-30/h4,6-7,10-11,14,17-18,20H,5,8-9,12-13,15-16H2,1-3H3,(H,27,32)
InChIKeyBINYIRRHWYPZKO-UHFFFAOYSA-N
XLogP3.21
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-benzyl-4-(piperidine-1-carbonyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 134316049
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
5-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 45133089
4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
CID 125434439
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
2-(2-pyrrolidin-1-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697328
6-(ethylamino)-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 62239679
3-tert-butyl-N-(2-piperidin-1-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110620585
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide?
The IUPAC name of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide (CID 134316237) is 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide is Cc1cc(-c2nc(C(=O)NCC(C)N3CCCCC3)cn2Cc2ccccc2)cn(C)c1=O.
What is the InChIKey of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide?
The InChIKey is BINYIRRHWYPZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-19-14-22(17-29(3)26(19)33)24-28-23(18-31(24)16-21-10-6-4-7-11-21)25(32)27-15-20(2)30-12-8-5-9-13-30/h4,6-7,10-11,14,17-18,20H,5,8-9,12-13,15-16H2,1-3H3,(H,27,32).
What are the key properties of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide?
1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(2-piperidin-1-ylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 134316237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).