5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C14H13N3O3 — CID 81099042

IUPAC5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-4-11(17-9)13(18)16-8-10-5-6-12(14(19)20)15-7-10/h2-7H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyYLMFQILGUUOEQK-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.41
Rot. Bonds4

About 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099042) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099042
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-4-11(17-9)13(18)16-8-10-5-6-12(14(19)20)15-7-10/h2-7H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyYLMFQILGUUOEQK-UHFFFAOYSA-N
XLogP1.41
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
5-[[(3-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099820
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100476
5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107013740
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-6-methylpyridine-2-carboxamide
CID 76939160

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099042) is 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is Cc1cccc(C(=O)NCc2ccc(C(=O)O)nc2)n1.
What is the InChIKey of 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is YLMFQILGUUOEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-3-2-4-11(17-9)13(18)16-8-10-5-6-12(14(19)20)15-7-10/h2-7H,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).