2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid

C15H15N3O3 — CID 43563869

IUPAC2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N(C)Cc2cccnc2)ccc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-10-12(15(20)21)5-6-13(17-10)14(19)18(2)9-11-4-3-7-16-8-11/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyWXPWHCXERATJHC-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid

2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43563869) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43563869
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N(C)Cc2cccnc2)ccc1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-10-12(15(20)21)5-6-13(17-10)14(19)18(2)9-11-4-3-7-16-8-11/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyWXPWHCXERATJHC-UHFFFAOYSA-N
XLogP1.76
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472
N,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 78893836
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569290
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid (CID 43563869) is 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid is Cc1nc(C(=O)N(C)Cc2cccnc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is WXPWHCXERATJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-12(15(20)21)5-6-13(17-10)14(19)18(2)9-11-4-3-7-16-8-11/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid?
2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43563869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).