N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide

C17H21N5O2 — CID 53156985

IUPACN-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CC3)c2)nc1
InChIInChI=1S/C17H21N5O2/c1-11(2)7-16(23)20-13-5-6-15(18-8-13)22-9-14(19-10-22)17(24)21-12-3-4-12/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFASOHEAELIBTFB-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.14
Rot. Bonds6

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

N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53156985) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53156985
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CC3)c2)nc1
InChIInChI=1S/C17H21N5O2/c1-11(2)7-16(23)20-13-5-6-15(18-8-13)22-9-14(19-10-22)17(24)21-12-3-4-12/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFASOHEAELIBTFB-UHFFFAOYSA-N
XLogP2.14
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide
CID 92901163
N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 50847310
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
N-cycloheptyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53157027
N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156915
1-(5-acetamido-2-pyridinyl)-N-(1-benzylpiperidin-4-yl)imidazole-4-carboxamide
CID 53156847
N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842318
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 95099085
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978
N-[6-[4-(3,5-dimethylpiperidine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156927
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95099061
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide (CID 53156985) is N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide is CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CC3)c2)nc1.
What is the InChIKey of N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is FASOHEAELIBTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)7-16(23)20-13-5-6-15(18-8-13)22-9-14(19-10-22)17(24)21-12-3-4-12/h5-6,8-12H,3-4,7H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53156985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).