5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C21H27N3O — CID 109231985

IUPAC5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C21H27N3O/c1-16-8-6-7-9-17(16)14-23-21(25)18-12-20(15-22-13-18)24-19-10-4-2-3-5-11-19/h6-9,12-13,15,19,24H,2-5,10-11,14H2,1H3,(H,23,25)
InChIKeyOQOHFJTUCVPAKV-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.45
Rot. Bonds5

About 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109231985) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109231985
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C21H27N3O/c1-16-8-6-7-9-17(16)14-23-21(25)18-12-20(15-22-13-18)24-19-10-4-2-3-5-11-19/h6-9,12-13,15,19,24H,2-5,10-11,14H2,1H3,(H,23,25)
InChIKeyOQOHFJTUCVPAKV-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233566
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109226082
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232079
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232074
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 109231985) is 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1cncc(NC2CCCCCC2)c1.
What is the InChIKey of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is OQOHFJTUCVPAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-8-6-7-9-17(16)14-23-21(25)18-12-20(15-22-13-18)24-19-10-4-2-3-5-11-19/h6-9,12-13,15,19,24H,2-5,10-11,14H2,1H3,(H,23,25).
What are the key properties of 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109231985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).