N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C21H27N3O2 — CID 119620529

IUPACN-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H27N3O2/c25-20(23-15-14-22-17-10-6-1-2-7-11-17)18-12-13-19(24-21(18)26)16-8-4-3-5-9-16/h3-5,8-9,12-13,17,22H,1-2,6-7,10-11,14-15H2,(H,23,25)(H,24,26)
InChIKeyCDZOLQGZZBHBMA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 119620529) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID119620529
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H27N3O2/c25-20(23-15-14-22-17-10-6-1-2-7-11-17)18-12-13-19(24-21(18)26)16-8-4-3-5-9-16/h3-5,8-9,12-13,17,22H,1-2,6-7,10-11,14-15H2,(H,23,25)(H,24,26)
InChIKeyCDZOLQGZZBHBMA-UHFFFAOYSA-N
XLogP3.08
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119619648
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129396964
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149
N-cyclohexyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497312
N-(2-methyl-2-piperidin-1-ylpropyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55834063
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[2-(cycloheptylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 119619169
N-(2-methylcyclohexyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497911
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 119620529) is N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is O=C(NCCNC1CCCCCC1)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is CDZOLQGZZBHBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(23-15-14-22-17-10-6-1-2-7-11-17)18-12-13-19(24-21(18)26)16-8-4-3-5-9-16/h3-5,8-9,12-13,17,22H,1-2,6-7,10-11,14-15H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119620529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).