5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C15H15N3O3 — CID 61408290

IUPAC5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNCc1ccccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H15N3O3/c1-16-8-10-4-2-3-5-12(10)18-14(19)11-6-7-13(15(20)21)17-9-11/h2-7,9,16H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyLYERBVVRJZJIFS-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.75
Rot. Bonds5

About 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 61408290) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID61408290
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNCc1ccccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H15N3O3/c1-16-8-10-4-2-3-5-12(10)18-14(19)11-6-7-13(15(20)21)17-9-11/h2-7,9,16H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyLYERBVVRJZJIFS-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

5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
5-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121191
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 103644305
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615270

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 61408290) is 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is CNCc1ccccc1NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LYERBVVRJZJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-8-10-4-2-3-5-12(10)18-14(19)11-6-7-13(15(20)21)17-9-11/h2-7,9,16H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-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 5-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61408290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).