6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid

C14H13N3O3 — CID 114701610

IUPAC6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H13N3O3/c1-9-6-15-5-4-10(9)7-17-13(18)12-3-2-11(8-16-12)14(19)20/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyTYOPWIKEEUJQOZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.41
Rot. Bonds4

About 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid

6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 114701610) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID114701610
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H13N3O3/c1-9-6-15-5-4-10(9)7-17-13(18)12-3-2-11(8-16-12)14(19)20/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyTYOPWIKEEUJQOZ-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

6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
3-[(3-methyl-4-pyridinyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370049
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
6-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 106704146
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114263545
6-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 114699456
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 114701610) is 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid is Cc1cnccc1CNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is TYOPWIKEEUJQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-6-15-5-4-10(9)7-17-13(18)12-3-2-11(8-16-12)14(19)20/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid?
6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-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 6-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114701610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).