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

C26H25N5O2 — CID 10114110

IUPAC6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CC(n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1
InChIInChI=1S/C26H25N5O2/c1-17-6-4-11-23(28-17)26(33)29-20-13-21(14-20)31-15-24(27-16-31)30-25(32)12-19-9-5-8-18-7-2-3-10-22(18)19/h2-11,15-16,20-21H,12-14H2,1H3,(H,29,33)(H,30,32)
InChIKeyWESLFWSZUGLONY-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.05
Rot. Bonds6

About 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide

6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 10114110) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID10114110
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CC(n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1
InChIInChI=1S/C26H25N5O2/c1-17-6-4-11-23(28-17)26(33)29-20-13-21(14-20)31-15-24(27-16-31)30-25(32)12-19-9-5-8-18-7-2-3-10-22(18)19/h2-11,15-16,20-21H,12-14H2,1H3,(H,29,33)(H,30,32)
InChIKeyWESLFWSZUGLONY-UHFFFAOYSA-N
XLogP4.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
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4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961
TP-472
CID 123773279
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide (CID 10114110) is 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NC2CC(n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1.
What is the InChIKey of 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is WESLFWSZUGLONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-6-4-11-23(28-17)26(33)29-20-13-21(14-20)31-15-24(27-16-31)30-25(32)12-19-9-5-8-18-7-2-3-10-22(18)19/h2-11,15-16,20-21H,12-14H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide?
6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 10114110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).