5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid

C15H15N3O3 — CID 114609051

IUPAC5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CCC2)cn1
InChIInChI=1S/C15H15N3O3/c19-14(13-5-2-8-18(13)11-3-1-4-11)17-10-6-7-12(15(20)21)16-9-10/h2,5-9,11H,1,3-4H2,(H,17,19)(H,20,21)
InChIKeyMCWLQUOYJCEEOJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.56
Rot. Bonds4

About 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid

5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 114609051) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID114609051
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CCC2)cn1
InChIInChI=1S/C15H15N3O3/c19-14(13-5-2-8-18(13)11-3-1-4-11)17-10-6-7-12(15(20)21)16-9-10/h2,5-9,11H,1,3-4H2,(H,17,19)(H,20,21)
InChIKeyMCWLQUOYJCEEOJ-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609165
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 114609053
N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 114050566
1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107588651
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610369
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
5-acetamidopyridine-2-carboxylic acid
CID 5278292
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 114609051) is 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cccn2C2CCC2)cn1.
What is the InChIKey of 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is MCWLQUOYJCEEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(13-5-2-8-18(13)11-3-1-4-11)17-10-6-7-12(15(20)21)16-9-10/h2,5-9,11H,1,3-4H2,(H,17,19)(H,20,21).
What are the key properties of 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid?
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114609051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).