3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide

C14H17N3OS — CID 104742615

IUPAC3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1ncccc1N)c1cccs1
InChIInChI=1S/C14H17N3OS/c1-14(2,11-6-4-8-19-11)9-17-13(18)12-10(15)5-3-7-16-12/h3-8H,9,15H2,1-2H3,(H,17,18)
InChIKeyJBPOHXSSBFUACR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide

3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide (PubChem CID 104742615) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
PubChem CID104742615
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1ncccc1N)c1cccs1
InChIInChI=1S/C14H17N3OS/c1-14(2,11-6-4-8-19-11)9-17-13(18)12-10(15)5-3-7-16-12/h3-8H,9,15H2,1-2H3,(H,17,18)
InChIKeyJBPOHXSSBFUACR-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
N-Pyridin-3-ylmethyl-2-thiophen-2-yl-acetamide
CID 669966
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852940
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-thiophen-2-yl-methanone
CID 25265257
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(3-methylthiophen-2-yl)methanone
CID 42606103
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(4-methylthiophen-2-yl)methanone
CID 42606104
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(5-methylthiophen-2-yl)methanone
CID 42606105
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-thiophen-3-yl-methanone
CID 42606222
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(thiophen-2-yl)nicotinamide
CID 46900403
N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide (CID 104742615) is 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide is CC(C)(CNC(=O)c1ncccc1N)c1cccs1.
What is the InChIKey of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The InChIKey is JBPOHXSSBFUACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,11-6-4-8-19-11)9-17-13(18)12-10(15)5-3-7-16-12/h3-8H,9,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide?
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 104742615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).