3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide

C14H21ClN2O — CID 66482967

IUPAC3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-11(4-2)9-17-14(18)12-7-8-16-10-13(12)15/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyCHPPMKCVHLVVTI-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.68
Rot. Bonds7

About 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide

3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide (PubChem CID 66482967) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
PubChem CID66482967
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-5-6-11(4-2)9-17-14(18)12-7-8-16-10-13(12)15/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyCHPPMKCVHLVVTI-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
2-chloro-N-[(2S)-2-ethylhexyl]-4-nitrobenzamide
CID 2286765
2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
CID 133239724
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
5-chloro-N-(2-ethylhexyl)-2-hydroxybenzamide
CID 14692803
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide (CID 66482967) is 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide is CCCCC(CC)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide?
The InChIKey is CHPPMKCVHLVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-5-6-11(4-2)9-17-14(18)12-7-8-16-10-13(12)15/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide?
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide has a molecular weight of 268.79 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).