1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide

C23H27N5O2 — CID 92901163

IUPAC1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(NC(=O)CC(C)C)cn3)cn2)cc1
InChIInChI=1S/C23H27N5O2/c1-15(2)11-22(29)27-19-9-10-21(24-12-19)28-13-20(25-14-28)23(30)26-17(4)18-7-5-16(3)6-8-18/h5-10,12-15,17H,11H2,1-4H3,(H,26,30)(H,27,29)/t17-/m1/s1
InChIKeyKVIPCRQGIFKYQR-QGZVFWFLSA-N
MW405.50 g/mol
LogP4.05
Rot. Bonds7

About 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide

1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide (PubChem CID 92901163) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide
PubChem CID92901163
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(NC(=O)CC(C)C)cn3)cn2)cc1
InChIInChI=1S/C23H27N5O2/c1-15(2)11-22(29)27-19-9-10-21(24-12-19)28-13-20(25-14-28)23(30)26-17(4)18-7-5-16(3)6-8-18/h5-10,12-15,17H,11H2,1-4H3,(H,26,30)(H,27,29)/t17-/m1/s1
InChIKeyKVIPCRQGIFKYQR-QGZVFWFLSA-N
XLogP4.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-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-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 95099085
N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156985
N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 50847310
N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156915
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95560076
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-[6-[4-(3,5-dimethylpiperidine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156927
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide (CID 92901163) is 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(NC(=O)CC(C)C)cn3)cn2)cc1.
What is the InChIKey of 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is KVIPCRQGIFKYQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)11-22(29)27-19-9-10-21(24-12-19)28-13-20(25-14-28)23(30)26-17(4)18-7-5-16(3)6-8-18/h5-10,12-15,17H,11H2,1-4H3,(H,26,30)(H,27,29)/t17-/m1/s1.
What are the key properties of 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide?
1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 92901163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).