2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

C15H15N3O3 — CID 63615270

IUPAC2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCNCc1ccccc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-16-9-10-5-2-3-7-12(10)18-14(19)13-11(15(20)21)6-4-8-17-13/h2-8,16H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJOESJKLJVOPJDT-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.75
Rot. Bonds5

About 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615270) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID63615270
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCNCc1ccccc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-16-9-10-5-2-3-7-12(10)18-14(19)13-11(15(20)21)6-4-8-17-13/h2-8,16H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyJOESJKLJVOPJDT-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615274
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
2-[(2-hexadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001704
2-[(2-docosoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001703
2-[(2-octadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001702
5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408290
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 103754489
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (CID 63615270) is 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is CNCc1ccccc1NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is JOESJKLJVOPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-9-10-5-2-3-7-12(10)18-14(19)13-11(15(20)21)6-4-8-17-13/h2-8,16H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).