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

C13H15N3OS — CID 62179696

IUPAC2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCc1ccc(C)s1
InChIInChI=1S/C13H15N3OS/c1-9-5-6-10(18-9)8-16-13(17)11-4-3-7-15-12(11)14-2/h3-7H,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCJVZBMBRTFKBFM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds4

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

2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 62179696) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID62179696
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCc1ccc(C)s1
InChIInChI=1S/C13H15N3OS/c1-9-5-6-10(18-9)8-16-13(17)11-4-3-7-15-12(11)14-2/h3-7H,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCJVZBMBRTFKBFM-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 103752450
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
CID 114038484

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (CID 62179696) is 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is CNc1ncccc1C(=O)NCc1ccc(C)s1.
What is the InChIKey of 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CJVZBMBRTFKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-5-6-10(18-9)8-16-13(17)11-4-3-7-15-12(11)14-2/h3-7H,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62179696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).