5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

C18H14Cl2N2OS — CID 8854525

IUPAC5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2cccs2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-4-6-12(7-5-11)16(15-3-2-8-24-15)22-18(23)13-9-14(19)17(20)21-10-13/h2-10,16H,1H3,(H,22,23)/t16-/m0/s1
InChIKeyCDQLKYUWRDXHDR-INIZCTEOSA-N
MW377.30 g/mol
LogP5.28
Rot. Bonds4

About 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide

5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (PubChem CID 8854525) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
PubChem CID8854525
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2cccs2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-4-6-12(7-5-11)16(15-3-2-8-24-15)22-18(23)13-9-14(19)17(20)21-10-13/h2-10,16H,1H3,(H,22,23)/t16-/m0/s1
InChIKeyCDQLKYUWRDXHDR-INIZCTEOSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 17488923
N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
CID 24613812
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]-3-(methanesulfonamido)benzamide
CID 55751629
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 26193106
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
4-ethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 24613770
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide (CID 8854525) is 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is Cc1ccc([C@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2cccs2)cc1.
What is the InChIKey of 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
The InChIKey is CDQLKYUWRDXHDR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-11-4-6-12(7-5-11)16(15-3-2-8-24-15)22-18(23)13-9-14(19)17(20)21-10-13/h2-10,16H,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide has a molecular weight of 377.30 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 8854525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).