4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid

C13H14N2O2S — CID 81243701

IUPAC4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
SMILESCCC(Nc1ccncc1C(=O)O)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-2-10(12-4-3-7-18-12)15-11-5-6-14-8-9(11)13(16)17/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyVPNMEICZYLXPBQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.40
Rot. Bonds5

About 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid

4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid (PubChem CID 81243701) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
PubChem CID81243701
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
SMILESCCC(Nc1ccncc1C(=O)O)c1cccs1
InChIInChI=1S/C13H14N2O2S/c1-2-10(12-4-3-7-18-12)15-11-5-6-14-8-9(11)13(16)17/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyVPNMEICZYLXPBQ-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid
CID 81304393
3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
CID 104776938
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
CID 81243719
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677
2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62710326
4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81243871
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
CID 105069176
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177024
5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107928719

Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid (CID 81243701) is 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid is CCC(Nc1ccncc1C(=O)O)c1cccs1.
What is the InChIKey of 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is VPNMEICZYLXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-10(12-4-3-7-18-12)15-11-5-6-14-8-9(11)13(16)17/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid?
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81243701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).