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

C14H17N3OS — CID 62073045

IUPAC6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(N)nc2)c(C)s1
InChIInChI=1S/C14H17N3OS/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-13(15)16-7-11/h4-7,9H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyAPSZKRPPHDNMNM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.83
Rot. Bonds3

About 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide

6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 62073045) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID62073045
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(N)nc2)c(C)s1
InChIInChI=1S/C14H17N3OS/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-13(15)16-7-11/h4-7,9H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyAPSZKRPPHDNMNM-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

3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 62239163
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 104741138
2-(5-amino-2-pyridinyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide;hydrochloride
CID 120621940
6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133351105
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 39167644
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
CID 81242851
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide (CID 62073045) is 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide is Cc1cc(C(C)NC(=O)c2ccc(N)nc2)c(C)s1.
What is the InChIKey of 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is APSZKRPPHDNMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-6-12(10(3)19-8)9(2)17-14(18)11-4-5-13(15)16-7-11/h4-7,9H,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide?
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-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 6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62073045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).