2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide

C13H12Cl2N2OS — CID 114918600

IUPAC2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ncc2Cl)sc1C
InChIInChI=1S/C13H12Cl2N2OS/c1-7-3-9(19-8(7)2)5-17-13(18)10-4-12(15)16-6-11(10)14/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyYHWWDSAUGPPWRX-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.00
Rot. Bonds3

About 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide

2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 114918600) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
PubChem CID114918600
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CNC(=O)c2cc(Cl)ncc2Cl)sc1C
InChIInChI=1S/C13H12Cl2N2OS/c1-7-3-9(19-8(7)2)5-17-13(18)10-4-12(15)16-6-11(10)14/h3-4,6H,5H2,1-2H3,(H,17,18)
InChIKeyYHWWDSAUGPPWRX-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.00
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-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 107257832
3,6-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 65243704
2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114918320
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114922785
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
2,4-diamino-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65241205
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 65244086
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
CID 107375938

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide (CID 114918600) is 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide is Cc1cc(CNC(=O)c2cc(Cl)ncc2Cl)sc1C.
What is the InChIKey of 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is YHWWDSAUGPPWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-7-3-9(19-8(7)2)5-17-13(18)10-4-12(15)16-6-11(10)14/h3-4,6H,5H2,1-2H3,(H,17,18).
What are the key properties of 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide?
2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 315.23 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).