1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H13N3O3 — CID 115449689

IUPAC1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(C(=O)NCC2(C(=O)O)CC2)ccc1C#N
InChIInChI=1S/C13H13N3O3/c1-8-9(6-14)2-3-10(16-8)11(17)15-7-13(4-5-13)12(18)19/h2-3H,4-5,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyCKLRCBFWBMUDFS-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.86
Rot. Bonds4

About 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449689) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449689
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(C(=O)NCC2(C(=O)O)CC2)ccc1C#N
InChIInChI=1S/C13H13N3O3/c1-8-9(6-14)2-3-10(16-8)11(17)15-7-13(4-5-13)12(18)19/h2-3H,4-5,7H2,1H3,(H,15,17)(H,18,19)
InChIKeyCKLRCBFWBMUDFS-UHFFFAOYSA-N
XLogP0.86
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide
CID 55973953
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115496541
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
1-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451717
5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449689) is 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1nc(C(=O)NCC2(C(=O)O)CC2)ccc1C#N.
What is the InChIKey of 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CKLRCBFWBMUDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-9(6-14)2-3-10(16-8)11(17)15-7-13(4-5-13)12(18)19/h2-3H,4-5,7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).