4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid

C15H15N3O3 — CID 43517798

IUPAC4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
SMILESCCNC(=O)c1cc(Nc2ccc(C(=O)O)cc2)ccn1
InChIInChI=1S/C15H15N3O3/c1-2-16-14(19)13-9-12(7-8-17-13)18-11-5-3-10(4-6-11)15(20)21/h3-9H,2H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyBCANLNRDMSTPQT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.27
Rot. Bonds5

About 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid

4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid (PubChem CID 43517798) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
PubChem CID43517798
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
SMILESCCNC(=O)c1cc(Nc2ccc(C(=O)O)cc2)ccn1
InChIInChI=1S/C15H15N3O3/c1-2-16-14(19)13-9-12(7-8-17-13)18-11-5-3-10(4-6-11)15(20)21/h3-9H,2H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyBCANLNRDMSTPQT-UHFFFAOYSA-N
XLogP2.27
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(4-acetylanilino)-N-tert-butylpyridine-2-carboxamide
CID 109216893
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207240
ethyl 4-[[2-(3-methylbutylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109217360
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
CID 43517917
4-[(4-amino-2,2-dimethylbutyl)amino]-N-ethylpyridine-2-carboxamide
CID 106142444
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid (CID 43517798) is 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid is CCNC(=O)c1cc(Nc2ccc(C(=O)O)cc2)ccn1.
What is the InChIKey of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid?
The InChIKey is BCANLNRDMSTPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-16-14(19)13-9-12(7-8-17-13)18-11-5-3-10(4-6-11)15(20)21/h3-9H,2H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid?
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 43517798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).