5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide

C21H27N3O — CID 109189250

IUPAC5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)NC2CCCCCC2)nc1
InChIInChI=1S/C21H27N3O/c1-24(16-17-9-5-4-6-10-17)19-13-14-20(22-15-19)21(25)23-18-11-7-2-3-8-12-18/h4-6,9-10,13-15,18H,2-3,7-8,11-12,16H2,1H3,(H,23,25)
InChIKeyABCSNEMWDDOPKF-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.17
Rot. Bonds5

About 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide

5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide (PubChem CID 109189250) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
PubChem CID109189250
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)NC2CCCCCC2)nc1
InChIInChI=1S/C21H27N3O/c1-24(16-17-9-5-4-6-10-17)19-13-14-20(22-15-19)21(25)23-18-11-7-2-3-8-12-18/h4-6,9-10,13-15,18H,2-3,7-8,11-12,16H2,1H3,(H,23,25)
InChIKeyABCSNEMWDDOPKF-UHFFFAOYSA-N
XLogP4.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(methyl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179860
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
5-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109189340
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231
N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109189319
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109189235

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide (CID 109189250) is 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)NC2CCCCCC2)nc1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide?
The InChIKey is ABCSNEMWDDOPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-24(16-17-9-5-4-6-10-17)19-13-14-20(22-15-19)21(25)23-18-11-7-2-3-8-12-18/h4-6,9-10,13-15,18H,2-3,7-8,11-12,16H2,1H3,(H,23,25).
What are the key properties of 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide?
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide is sourced from PubChem (CID 109189250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).