3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C14H17N3OS — CID 104742073

IUPAC3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ncccc1N
InChIInChI=1S/C14H17N3OS/c1-10(2)17(9-11-5-4-8-19-11)14(18)13-12(15)6-3-7-16-13/h3-8,10H,9,15H2,1-2H3
InChIKeyBCSSKLQCHLOTCL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.78
Rot. Bonds4

About 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 104742073) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID104742073
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ncccc1N
InChIInChI=1S/C14H17N3OS/c1-10(2)17(9-11-5-4-8-19-11)14(18)13-12(15)6-3-7-16-13/h3-8,10H,9,15H2,1-2H3
InChIKeyBCSSKLQCHLOTCL-UHFFFAOYSA-N
XLogP2.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104741052
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62077582
4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080802
2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62174129
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
3-amino-N-butan-2-yl-N-ethylpyridine-2-carboxamide
CID 104741017
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 61394676
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 104742073) is 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is CC(C)N(Cc1cccs1)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BCSSKLQCHLOTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(2)17(9-11-5-4-8-19-11)14(18)13-12(15)6-3-7-16-13/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104742073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).