5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

C13H14ClN3OS — CID 114924109

IUPAC5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2sccc2C)c(Cl)cn1
InChIInChI=1S/C13H14ClN3OS/c1-8-3-4-19-11(8)7-17-13(18)9-5-12(15-2)16-6-10(9)14/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRJMFRXTUYMUWEX-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.08
Rot. Bonds4

About 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 114924109) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
PubChem CID114924109
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2sccc2C)c(Cl)cn1
InChIInChI=1S/C13H14ClN3OS/c1-8-3-4-19-11(8)7-17-13(18)9-5-12(15-2)16-6-10(9)14/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRJMFRXTUYMUWEX-UHFFFAOYSA-N
XLogP3.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 114922853
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114922058
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106049955
5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 103803792
5-chloro-2-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114921694
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide (CID 114924109) is 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is CNc1cc(C(=O)NCc2sccc2C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RJMFRXTUYMUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8-3-4-19-11(8)7-17-13(18)9-5-12(15-2)16-6-10(9)14/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114924109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).