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

C12H13N3OS — CID 81317234

IUPAC5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(N)cn2)s1
InChIInChI=1S/C12H13N3OS/c1-8-2-4-10(17-8)7-15-12(16)11-5-3-9(13)6-14-11/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyZOPZCRLBMZRLTQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.96
Rot. Bonds3

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

5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 81317234) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID81317234
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(N)cn2)s1
InChIInChI=1S/C12H13N3OS/c1-8-2-4-10(17-8)7-15-12(16)11-5-3-9(13)6-14-11/h2-6H,7,13H2,1H3,(H,15,16)
InChIKeyZOPZCRLBMZRLTQ-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
5-amino-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106391380
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
5-amino-N-prop-2-ynylpyridine-2-carboxamide
CID 81316148
6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115497750
N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 33295313
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 63375047
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide (CID 81317234) is 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(N)cn2)s1.
What is the InChIKey of 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZOPZCRLBMZRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-2-4-10(17-8)7-15-12(16)11-5-3-9(13)6-14-11/h2-6H,7,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide?
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 81317234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).