4-[ethyl(methyl)amino]pyridine-3-carboxylic acid

C9H12N2O2 — CID 81233141

IUPAC4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCCN(C)c1ccncc1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-3-11(2)8-4-5-10-6-7(8)9(12)13/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyCFYFJTLJUGQPTH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.24
Rot. Bonds3

About 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid

4-[ethyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 81233141) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID81233141
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCCN(C)c1ccncc1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-3-11(2)8-4-5-10-6-7(8)9(12)13/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyCFYFJTLJUGQPTH-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826
4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 107399152
4-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81244059
4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632519
1-[4-(diethylamino)-3-pyridinyl]ethanone
CID 83878130
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001
4-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 81244428
4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxylic acid
CID 81232650
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
3-[3-methoxypropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114288657
4-propylpyridine-3-carboxylic acid
CID 21413297
3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062611

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid (CID 81233141) is 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid is CCN(C)c1ccncc1C(=O)O.
What is the InChIKey of 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is CFYFJTLJUGQPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-11(2)8-4-5-10-6-7(8)9(12)13/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid?
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81233141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).