6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

C19H19N3O4 — CID 119180393

IUPAC6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1
InChIInChI=1S/C19H19N3O4/c23-17(13-5-2-6-13)21-14-7-1-4-12(10-14)11-20-18(24)15-8-3-9-16(22-15)19(25)26/h1,3-4,7-10,13H,2,5-6,11H2,(H,20,24)(H,21,23)(H,25,26)
InChIKeyBJCPQUYYKJDASC-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.45
Rot. Bonds6

About 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid

6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119180393) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119180393
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1
InChIInChI=1S/C19H19N3O4/c23-17(13-5-2-6-13)21-14-7-1-4-12(10-14)11-20-18(24)15-8-3-9-16(22-15)19(25)26/h1,3-4,7-10,13H,2,5-6,11H2,(H,20,24)(H,21,23)(H,25,26)
InChIKeyBJCPQUYYKJDASC-UHFFFAOYSA-N
XLogP2.45
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055351
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide
CID 17408613
2-(aminomethyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119710762
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820922
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
2-(2-aminoethyl)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624288
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid (CID 119180393) is 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1.
What is the InChIKey of 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BJCPQUYYKJDASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-17(13-5-2-6-13)21-14-7-1-4-12(10-14)11-20-18(24)15-8-3-9-16(22-15)19(25)26/h1,3-4,7-10,13H,2,5-6,11H2,(H,20,24)(H,21,23)(H,25,26).
What are the key properties of 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid?
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).