4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid

C15H15N3O3 — CID 63651857

IUPAC4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
SMILESCN(C)c1cccc(C(=O)Nc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C15H15N3O3/c1-18(2)12-5-3-4-10(8-12)14(19)17-11-6-7-16-13(9-11)15(20)21/h3-9H,1-2H3,(H,20,21)(H,16,17,19)
InChIKeySNZHUTPVOLAXPA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.10
Rot. Bonds4

About 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid

4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid (PubChem CID 63651857) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
PubChem CID63651857
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
SMILESCN(C)c1cccc(C(=O)Nc2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C15H15N3O3/c1-18(2)12-5-3-4-10(8-12)14(19)17-11-6-7-16-13(9-11)15(20)21/h3-9H,1-2H3,(H,20,21)(H,16,17,19)
InChIKeySNZHUTPVOLAXPA-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

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Related Compounds

N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651069
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
3-(dimethylamino)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160840

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid (CID 63651857) is 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid is CN(C)c1cccc(C(=O)Nc2ccnc(C(=O)O)c2)c1.
What is the InChIKey of 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is SNZHUTPVOLAXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(2)12-5-3-4-10(8-12)14(19)17-11-6-7-16-13(9-11)15(20)21/h3-9H,1-2H3,(H,20,21)(H,16,17,19).
What are the key properties of 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid?
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic 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 4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).