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

C13H18N2O2 — CID 107399152

IUPAC4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CC1CCC1)c1ccncc1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-2-15(9-10-4-3-5-10)12-6-7-14-8-11(12)13(16)17/h6-8,10H,2-5,9H2,1H3,(H,16,17)
InChIKeyVXDDYDPKMDMHGT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.41
Rot. Bonds5

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

4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid (PubChem CID 107399152) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
PubChem CID107399152
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CC1CCC1)c1ccncc1C(=O)O
InChIInChI=1S/C13H18N2O2/c1-2-15(9-10-4-3-5-10)12-6-7-14-8-11(12)13(16)17/h6-8,10H,2-5,9H2,1H3,(H,16,17)
InChIKeyVXDDYDPKMDMHGT-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
CID 107397217
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
4-chloro-2-[cyclobutylmethyl(ethyl)amino]benzoic acid
CID 107399503
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
1-[4-(diethylamino)-3-pyridinyl]ethanone
CID 83878130
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylpyridin-4-amine
CID 81247312
3-[cyclopropylmethyl(ethyl)amino]pyridine-4-carbothioamide
CID 114288566
2-[cyclobutylmethyl(ethyl)amino]-3-methylbenzoic acid
CID 107402214
4-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632519
2-[cyclopropylmethyl(ethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63940124
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001
N-(cyclobutylmethyl)-N-ethyl-3-hydrazinylpyridine-4-carboxamide
CID 107401447

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid (CID 107399152) is 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid is CCN(CC1CCC1)c1ccncc1C(=O)O.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is VXDDYDPKMDMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-15(9-10-4-3-5-10)12-6-7-14-8-11(12)13(16)17/h6-8,10H,2-5,9H2,1H3,(H,16,17).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid?
4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 107399152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).