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

C21H22ClN5O2 — CID 50847310

IUPACN-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NCc3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C21H22ClN5O2/c1-14(2)9-20(28)26-17-7-8-19(23-11-17)27-12-18(25-13-27)21(29)24-10-15-3-5-16(22)6-4-15/h3-8,11-14H,9-10H2,1-2H3,(H,24,29)(H,26,28)
InChIKeySNBWAUKANRLKKA-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.84
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 50847310) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID50847310
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NCc3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C21H22ClN5O2/c1-14(2)9-20(28)26-17-7-8-19(23-11-17)27-12-18(25-13-27)21(29)24-10-15-3-5-16(22)6-4-15/h3-8,11-14H,9-10H2,1-2H3,(H,24,29)(H,26,28)
InChIKeySNBWAUKANRLKKA-UHFFFAOYSA-N
XLogP3.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156985
N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156915
1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide
CID 92901163
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 95099085
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
N-[(4-chlorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489939

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide (CID 50847310) is N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide is CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NCc3ccc(Cl)cc3)c2)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is SNBWAUKANRLKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-14(2)9-20(28)26-17-7-8-19(23-11-17)27-12-18(25-13-27)21(29)24-10-15-3-5-16(22)6-4-15/h3-8,11-14H,9-10H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 50847310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).