N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide

C22H23ClN2OS — CID 57271986

IUPACN-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(CCCc1cccc(Cl)c1)CCCc1cccs1
InChIInChI=1S/C22H23ClN2OS/c23-20-9-1-6-18(16-20)7-3-13-25(14-4-10-21-11-5-15-27-21)22(26)19-8-2-12-24-17-19/h1-2,5-6,8-9,11-12,15-17H,3-4,7,10,13-14H2
InChIKeyXGWHRHDCIYRYSU-UHFFFAOYSA-N
MW398.96 g/mol
LogP5.50
Rot. Bonds9

About N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide

N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide (PubChem CID 57271986) has the molecular formula C22H23ClN2OS and a molecular weight of 398.96 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide
PubChem CID57271986
Molecular FormulaC22H23ClN2OS
Molecular Weight398.96 g/mol
Exact Mass398.12
IUPAC NameN-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(CCCc1cccc(Cl)c1)CCCc1cccs1
InChIInChI=1S/C22H23ClN2OS/c23-20-9-1-6-18(16-20)7-3-13-25(14-4-10-21-11-5-15-27-21)22(26)19-8-2-12-24-17-19/h1-2,5-6,8-9,11-12,15-17H,3-4,7,10,13-14H2
InChIKeyXGWHRHDCIYRYSU-UHFFFAOYSA-N
XLogP5.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.96
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide (CID 57271986) is N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide is O=C(c1cccnc1)N(CCCc1cccc(Cl)c1)CCCc1cccs1.
What is the InChIKey of N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The InChIKey is XGWHRHDCIYRYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2OS/c23-20-9-1-6-18(16-20)7-3-13-25(14-4-10-21-11-5-15-27-21)22(26)19-8-2-12-24-17-19/h1-2,5-6,8-9,11-12,15-17H,3-4,7,10,13-14H2.
What are the key properties of N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide?
N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 57271986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).