N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide

C25H23N5O2 — CID 10224259

IUPACN-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1
InChIInChI=1S/C25H23N5O2/c31-24(12-18-8-5-7-17-6-1-2-9-21(17)18)29-23-15-30(16-27-23)20-13-19(14-20)28-25(32)22-10-3-4-11-26-22/h1-11,15-16,19-20H,12-14H2,(H,28,32)(H,29,31)
InChIKeyNPXTWLXCVUMFMN-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.75
Rot. Bonds6

About N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide

N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 10224259) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID10224259
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1
InChIInChI=1S/C25H23N5O2/c31-24(12-18-8-5-7-17-6-1-2-9-21(17)18)29-23-15-30(16-27-23)20-13-19(14-20)28-25(32)22-10-3-4-11-26-22/h1-11,15-16,19-20H,12-14H2,(H,28,32)(H,29,31)
InChIKeyNPXTWLXCVUMFMN-UHFFFAOYSA-N
XLogP3.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 748028
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4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
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4-[6-benzyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57382738
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
Pyrimidine-4-carboxamide, 79
CID 44520953
Pyrimidine-4-carboxamide, 80
CID 44520966
2-[3-(Benzimidazol-1-yl)propanoyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24771955

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (CID 10224259) is N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is O=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1.
What is the InChIKey of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is NPXTWLXCVUMFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24(12-18-8-5-7-17-6-1-2-9-21(17)18)29-23-15-30(16-27-23)20-13-19(14-20)28-25(32)22-10-3-4-11-26-22/h1-11,15-16,19-20H,12-14H2,(H,28,32)(H,29,31).
What are the key properties of N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 10224259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).