2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide

C13H14ClN3OS — CID 114923012

IUPAC2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-8(4-9-2-3-19-7-9)17-13(18)10-5-12(15)16-6-11(10)14/h2-3,5-8H,4H2,1H3,(H2,15,16)(H,17,18)
InChIKeyKPBYTKSDYNDECV-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide

2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114923012) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114923012
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-8(4-9-2-3-19-7-9)17-13(18)10-5-12(15)16-6-11(10)14/h2-3,5-8H,4H2,1H3,(H2,15,16)(H,17,18)
InChIKeyKPBYTKSDYNDECV-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2-amino-5-chloro-N-thiophen-3-ylpyridine-4-carboxamide
CID 114923968
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide (CID 114923012) is 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cc1ccsc1)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is KPBYTKSDYNDECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8(4-9-2-3-19-7-9)17-13(18)10-5-12(15)16-6-11(10)14/h2-3,5-8H,4H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114923012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).