4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid

C13H15N3O2 — CID 81244340

IUPAC4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(CCC#N)C2CC2)c(C(=O)O)cn1
InChIInChI=1S/C13H15N3O2/c1-9-7-12(11(8-15-9)13(17)18)16(6-2-5-14)10-3-4-10/h7-8,10H,2-4,6H2,1H3,(H,17,18)
InChIKeyIIPZDJDCWXUYOH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.97
Rot. Bonds5

About 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid

4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244340) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID81244340
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N(CCC#N)C2CC2)c(C(=O)O)cn1
InChIInChI=1S/C13H15N3O2/c1-9-7-12(11(8-15-9)13(17)18)16(6-2-5-14)10-3-4-10/h7-8,10H,2-4,6H2,1H3,(H,17,18)
InChIKeyIIPZDJDCWXUYOH-UHFFFAOYSA-N
XLogP1.97
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244159
4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244045
2-[2-cyanoethyl(cyclopropyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034417
3-[cyclopropyl-(2-methylquinolin-4-yl)amino]propanenitrile
CID 54997126
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
6-methyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81233162
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241
2-[2-cyanoethyl(cyclopropyl)amino]-6-fluorobenzoic acid
CID 114065219
6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81233414
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]benzoate
CID 54997374
4-[[2-cyanoethyl(cyclopropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974291
4,6-dimethylpyridine-3-carboxylic acid
CID 817290

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid (CID 81244340) is 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid is Cc1cc(N(CCC#N)C2CC2)c(C(=O)O)cn1.
What is the InChIKey of 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is IIPZDJDCWXUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-12(11(8-15-9)13(17)18)16(6-2-5-14)10-3-4-10/h7-8,10H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).