5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid

C14H17N3O2S — CID 81440054

IUPAC5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C(C)Nc2ncc(C(=O)O)cc2N)c(C)s1
InChIInChI=1S/C14H17N3O2S/c1-7-4-11(9(3)20-7)8(2)17-13-12(15)5-10(6-16-13)14(18)19/h4-6,8H,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySGNMPRQMVVKXRG-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.21
Rot. Bonds4

About 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid

5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 81440054) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID81440054
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C(C)Nc2ncc(C(=O)O)cc2N)c(C)s1
InChIInChI=1S/C14H17N3O2S/c1-7-4-11(9(3)20-7)8(2)17-13-12(15)5-10(6-16-13)14(18)19/h4-6,8H,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySGNMPRQMVVKXRG-UHFFFAOYSA-N
XLogP3.21
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440150
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81233505
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
3-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 82801714
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
CID 81438845
5-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974891
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541349
5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 103113348
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine
CID 106565436
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133351105

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid (CID 81440054) is 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid is Cc1cc(C(C)Nc2ncc(C(=O)O)cc2N)c(C)s1.
What is the InChIKey of 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is SGNMPRQMVVKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-7-4-11(9(3)20-7)8(2)17-13-12(15)5-10(6-16-13)14(18)19/h4-6,8H,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid?
5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81440054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).