3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

C14H14ClN3O — CID 66463234

IUPAC3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H14ClN3O/c1-18(9-6-11-4-2-3-7-17-11)14(19)12-5-8-16-10-13(12)15/h2-5,7-8,10H,6,9H2,1H3
InChIKeyPPXLMYNVEOTCAM-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.44
Rot. Bonds4

About 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 66463234) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID66463234
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H14ClN3O/c1-18(9-6-11-4-2-3-7-17-11)14(19)12-5-8-16-10-13(12)15/h2-5,7-8,10H,6,9H2,1H3
InChIKeyPPXLMYNVEOTCAM-UHFFFAOYSA-N
XLogP2.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 66463234) is 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is CN(CCc1ccccn1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is PPXLMYNVEOTCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18(9-6-11-4-2-3-7-17-11)14(19)12-5-8-16-10-13(12)15/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66463234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).