3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide

C17H12Cl2N2OS — CID 99812951

IUPAC3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccncc1Cl
InChIInChI=1S/C17H12Cl2N2OS/c18-12-5-3-11(4-6-12)16(15-2-1-9-23-15)21-17(22)13-7-8-20-10-14(13)19/h1-10,16H,(H,21,22)/t16-/m0/s1
InChIKeyBRPDFZHPGSRBGR-INIZCTEOSA-N
MW363.27 g/mol
LogP4.97
Rot. Bonds4

About 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide

3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide (PubChem CID 99812951) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
PubChem CID99812951
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccncc1Cl
InChIInChI=1S/C17H12Cl2N2OS/c18-12-5-3-11(4-6-12)16(15-2-1-9-23-15)21-17(22)13-7-8-20-10-14(13)19/h1-10,16H,(H,21,22)/t16-/m0/s1
InChIKeyBRPDFZHPGSRBGR-INIZCTEOSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
CID 86999645
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66482550
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55751667
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
CID 94129459
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide (CID 99812951) is 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide is O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The InChIKey is BRPDFZHPGSRBGR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-12-5-3-11(4-6-12)16(15-2-1-9-23-15)21-17(22)13-7-8-20-10-14(13)19/h1-10,16H,(H,21,22)/t16-/m0/s1.
What are the key properties of 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide has a molecular weight of 363.27 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 99812951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).