4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide

C20H24ClN3O — CID 109215435

IUPAC4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C20H24ClN3O/c21-17-7-5-16(6-8-17)9-11-23-20(25)19-15-18(10-12-22-19)24-13-3-1-2-4-14-24/h5-8,10,12,15H,1-4,9,11,13-14H2,(H,23,25)
InChIKeyJQLUWHORUKPMBY-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.09
Rot. Bonds5

About 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide

4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109215435) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109215435
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C20H24ClN3O/c21-17-7-5-16(6-8-17)9-11-23-20(25)19-15-18(10-12-22-19)24-13-3-1-2-4-14-24/h5-8,10,12,15H,1-4,9,11,13-14H2,(H,23,25)
InChIKeyJQLUWHORUKPMBY-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215433
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide (CID 109215435) is 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is JQLUWHORUKPMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-17-7-5-16(6-8-17)9-11-23-20(25)19-15-18(10-12-22-19)24-13-3-1-2-4-14-24/h5-8,10,12,15H,1-4,9,11,13-14H2,(H,23,25).
What are the key properties of 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide?
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109215435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).