2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide

C22H23N3O — CID 84576268

IUPAC2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cccnc1N1CCCCCC1
InChIInChI=1S/C22H23N3O/c26-22(24-19-12-11-17-8-3-4-9-18(17)16-19)20-10-7-13-23-21(20)25-14-5-1-2-6-15-25/h3-4,7-13,16H,1-2,5-6,14-15H2,(H,24,26)
InChIKeyFBKYYNAVEMBHCK-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.87
Rot. Bonds3

About 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide

2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide (PubChem CID 84576268) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
PubChem CID84576268
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cccnc1N1CCCCCC1
InChIInChI=1S/C22H23N3O/c26-22(24-19-12-11-17-8-3-4-9-18(17)16-19)20-10-7-13-23-21(20)25-14-5-1-2-6-15-25/h3-4,7-13,16H,1-2,5-6,14-15H2,(H,24,26)
InChIKeyFBKYYNAVEMBHCK-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
N-naphthalen-2-yl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574296
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60553120
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940
N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39584681
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide (CID 84576268) is 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide is O=C(Nc1ccc2ccccc2c1)c1cccnc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide?
The InChIKey is FBKYYNAVEMBHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(24-19-12-11-17-8-3-4-9-18(17)16-19)20-10-7-13-23-21(20)25-14-5-1-2-6-15-25/h3-4,7-13,16H,1-2,5-6,14-15H2,(H,24,26).
What are the key properties of 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide?
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 84576268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).