N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide

C20H25N3O2 — CID 131895345

IUPACN-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCCCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c24-19-12-8-11-17(22-19)20(25)21-15-18(16-9-4-3-5-10-16)23-13-6-1-2-7-14-23/h3-5,8-12,18H,1-2,6-7,13-15H2,(H,21,25)(H,22,24)
InChIKeyCJAHUFNWGDOBQN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide

N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 131895345) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID131895345
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCCCC1)c1cccc(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c24-19-12-8-11-17(22-19)20(25)21-15-18(16-9-4-3-5-10-16)23-13-6-1-2-7-14-23/h3-5,8-12,18H,1-2,6-7,13-15H2,(H,21,25)(H,22,24)
InChIKeyCJAHUFNWGDOBQN-UHFFFAOYSA-N
XLogP2.72
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 126448553
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CID 167898904
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261834
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide (CID 131895345) is N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NCC(c1ccccc1)N1CCCCCC1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is CJAHUFNWGDOBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19-12-8-11-17(22-19)20(25)21-15-18(16-9-4-3-5-10-16)23-13-6-1-2-7-14-23/h3-5,8-12,18H,1-2,6-7,13-15H2,(H,21,25)(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 131895345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).