3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide

C15H15ClN2O — CID 79079687

IUPAC3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-3-5-12(11)6-9-18-15(19)13-7-8-17-10-14(13)16/h2-5,7-8,10H,6,9H2,1H3,(H,18,19)
InChIKeyBWOQGRJINGNKDZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.02
Rot. Bonds4

About 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide

3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 79079687) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID79079687
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2O/c1-11-4-2-3-5-12(11)6-9-18-15(19)13-7-8-17-10-14(13)16/h2-5,7-8,10H,6,9H2,1H3,(H,18,19)
InChIKeyBWOQGRJINGNKDZ-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
CID 91120508
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
3-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 66483359
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide (CID 79079687) is 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide is Cc1ccccc1CCNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is BWOQGRJINGNKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-4-2-3-5-12(11)6-9-18-15(19)13-7-8-17-10-14(13)16/h2-5,7-8,10H,6,9H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 79079687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).