N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

C22H26ClN3O3S — CID 42163607

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C22H26ClN3O3S/c23-19-9-8-16(30-19)12-24-21(28)17-13-26(15-6-2-3-7-15)14-18(20(17)27)22(29)25-10-4-1-5-11-25/h8-9,13-15H,1-7,10-12H2,(H,24,28)
InChIKeyQBBRSWVQAIBMMF-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.23
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 42163607) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID42163607
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C22H26ClN3O3S/c23-19-9-8-16(30-19)12-24-21(28)17-13-26(15-6-2-3-7-15)14-18(20(17)27)22(29)25-10-4-1-5-11-25/h8-9,13-15H,1-7,10-12H2,(H,24,28)
InChIKeyQBBRSWVQAIBMMF-UHFFFAOYSA-N
XLogP4.23
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (CID 42163607) is N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is O=C(NCc1ccc(Cl)s1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is QBBRSWVQAIBMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c23-19-9-8-16(30-19)12-24-21(28)17-13-26(15-6-2-3-7-15)14-18(20(17)27)22(29)25-10-4-1-5-11-25/h8-9,13-15H,1-7,10-12H2,(H,24,28).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 447.99 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 42163607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).