6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C15H15N3O3 — CID 61408010

IUPAC6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNCc1cccc(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C15H15N3O3/c1-16-9-10-4-2-5-11(8-10)17-14(19)12-6-3-7-13(18-12)15(20)21/h2-8,16H,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyVRGYGZGUWAEJNP-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.75
Rot. Bonds5

About 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 61408010) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID61408010
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNCc1cccc(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C15H15N3O3/c1-16-9-10-4-2-5-11(8-10)17-14(19)12-6-3-7-13(18-12)15(20)21/h2-8,16H,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyVRGYGZGUWAEJNP-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

6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
CID 43601855
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
1-[2-[3-(methylaminomethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289946
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 61408010) is 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is CNCc1cccc(NC(=O)c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VRGYGZGUWAEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-16-9-10-4-2-5-11(8-10)17-14(19)12-6-3-7-13(18-12)15(20)21/h2-8,16H,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[3-(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 6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61408010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).