N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide

C22H22ClN3O2 — CID 109172819

IUPACN-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)Nc2ccc(Cl)cc2C)ccn1
InChIInChI=1S/C22H22ClN3O2/c1-15-13-18(23)7-8-19(15)26-22(27)17-10-12-25-21(14-17)24-11-9-16-5-3-4-6-20(16)28-2/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyLQIJOMCAWCDCSQ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.96
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide

N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172819) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172819
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)Nc2ccc(Cl)cc2C)ccn1
InChIInChI=1S/C22H22ClN3O2/c1-15-13-18(23)7-8-19(15)26-22(27)17-10-12-25-21(14-17)24-11-9-16-5-3-4-6-20(16)28-2/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyLQIJOMCAWCDCSQ-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172803
N-(3-acetylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172828
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175999
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171988
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
N-(4-chloro-2-methylphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190315
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide (CID 109172819) is N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide is COc1ccccc1CCNc1cc(C(=O)Nc2ccc(Cl)cc2C)ccn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is LQIJOMCAWCDCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-13-18(23)7-8-19(15)26-22(27)17-10-12-25-21(14-17)24-11-9-16-5-3-4-6-20(16)28-2/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).