4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide

C16H17ClN2OS — CID 81228997

IUPAC4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cnccc1Cl
InChIInChI=1S/C16H17ClN2OS/c17-13-7-8-18-10-12(13)16(20)19-15(11-4-1-2-5-11)14-6-3-9-21-14/h3,6-11,15H,1-2,4-5H2,(H,19,20)
InChIKeyRDVFDRBREZHQDT-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.46
Rot. Bonds4

About 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide

4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 81228997) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID81228997
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cnccc1Cl
InChIInChI=1S/C16H17ClN2OS/c17-13-7-8-18-10-12(13)16(20)19-15(11-4-1-2-5-11)14-6-3-9-21-14/h3,6-11,15H,1-2,4-5H2,(H,19,20)
InChIKeyRDVFDRBREZHQDT-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide (CID 81228997) is 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide is O=C(NC(c1cccs1)C1CCCC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RDVFDRBREZHQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-13-7-8-18-10-12(13)16(20)19-15(11-4-1-2-5-11)14-6-3-9-21-14/h3,6-11,15H,1-2,4-5H2,(H,19,20).
What are the key properties of 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 320.85 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81228997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).