2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid

C15H15N3O3 — CID 60941938

IUPAC2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
SMILESCN(C)c1ccc(NC(=O)c2ccccc2C(=O)O)cn1
InChIInChI=1S/C15H15N3O3/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15(20)21/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeyPYWLNYCKVPUFQP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.10
Rot. Bonds4

About 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid

2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid (PubChem CID 60941938) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
PubChem CID60941938
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
SMILESCN(C)c1ccc(NC(=O)c2ccccc2C(=O)O)cn1
InChIInChI=1S/C15H15N3O3/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15(20)21/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeyPYWLNYCKVPUFQP-UHFFFAOYSA-N
XLogP2.10
TPSA82.53 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide
CID 46699592
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
CID 115745290
N-[6-(dimethylamino)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 62512980
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
CID 63651994
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid (CID 60941938) is 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid is CN(C)c1ccc(NC(=O)c2ccccc2C(=O)O)cn1.
What is the InChIKey of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid?
The InChIKey is PYWLNYCKVPUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(2)13-8-7-10(9-16-13)17-14(19)11-5-3-4-6-12(11)15(20)21/h3-9H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid?
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid is sourced from PubChem (CID 60941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).