4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid

C14H20N2O2 — CID 64749962

IUPAC4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCC(Nc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-2-10-4-3-5-11(8-10)16-12-6-7-15-13(9-12)14(17)18/h6-7,9-11H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNRFWKYHHMOMIBT-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.16
Rot. Bonds4

About 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid

4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid (PubChem CID 64749962) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
PubChem CID64749962
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCC(Nc2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-2-10-4-3-5-11(8-10)16-12-6-7-15-13(9-12)14(17)18/h6-7,9-11H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyNRFWKYHHMOMIBT-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
CID 66287289
4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
4-(3-ethylcyclohexyl)sulfanylpyridine-2-carboxylic acid
CID 79554127
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
CID 103063321
methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
CID 114075042
4-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107853442
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid (CID 64749962) is 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid is CCC1CCCC(Nc2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The InChIKey is NRFWKYHHMOMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-4-3-5-11(8-10)16-12-6-7-15-13(9-12)14(17)18/h6-7,9-11H,2-5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 64749962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).