3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide

C14H17N3OS — CID 104741138

IUPAC3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ncccc2N)c(C)s1
InChIInChI=1S/C14H17N3OS/c1-8-7-11(10(3)19-8)9(2)17-14(18)13-12(15)5-4-6-16-13/h4-7,9H,15H2,1-3H3,(H,17,18)
InChIKeyCOBYICWSFORCQG-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide

3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 104741138) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID104741138
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ncccc2N)c(C)s1
InChIInChI=1S/C14H17N3OS/c1-8-7-11(10(3)19-8)9(2)17-14(18)13-12(15)5-4-6-16-13/h4-7,9H,15H2,1-3H3,(H,17,18)
InChIKeyCOBYICWSFORCQG-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 62239163
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62247454
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide
CID 104741318

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide (CID 104741138) is 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide is Cc1cc(C(C)NC(=O)c2ncccc2N)c(C)s1.
What is the InChIKey of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is COBYICWSFORCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-7-11(10(3)19-8)9(2)17-14(18)13-12(15)5-4-6-16-13/h4-7,9H,15H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide?
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).