2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid

C17H21N3O3S — CID 53094042

IUPAC2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NC(=O)c2cccs2)cc1C(=O)O
InChIInChI=1S/C17H21N3O3S/c1-3-7-20(8-4-2)15-13(17(22)23)10-12(11-18-15)19-16(21)14-6-5-9-24-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyOWJLEFHLUOEEFF-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.72
Rot. Bonds8

About 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid

2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 53094042) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid
PubChem CID53094042
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NC(=O)c2cccs2)cc1C(=O)O
InChIInChI=1S/C17H21N3O3S/c1-3-7-20(8-4-2)15-13(17(22)23)10-12(11-18-15)19-16(21)14-6-5-9-24-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyOWJLEFHLUOEEFF-UHFFFAOYSA-N
XLogP3.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dipropylamino)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094040
2-(dipropylamino)-5-(thiophene-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060548
N-[6-(dipropylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113045135
5-benzamido-2-[bis(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 53094198
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122301798
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113022556
2-[butyl(methyl)amino]-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093985
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
2-[butyl(methyl)amino]-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093980
2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53093981
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
N-[3-[(2-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 31516964

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid (CID 53094042) is 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid is CCCN(CCC)c1ncc(NC(=O)c2cccs2)cc1C(=O)O.
What is the InChIKey of 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is OWJLEFHLUOEEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-7-20(8-4-2)15-13(17(22)23)10-12(11-18-15)19-16(21)14-6-5-9-24-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 347.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 53094042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).