5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

C22H22ClN3O2 — CID 109192640

IUPAC5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Nc3ccc(C)c(Cl)c3)cn2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-17(13-20(15)23)26-18-8-9-21(25-14-18)22(27)24-11-10-16-4-3-5-19(12-16)28-2/h3-9,12-14,26H,10-11H2,1-2H3,(H,24,27)
InChIKeyXTAAESZTPPICMJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.77
Rot. Bonds7

About 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide

5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109192640) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109192640
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Nc3ccc(C)c(Cl)c3)cn2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-17(13-20(15)23)26-18-8-9-21(25-14-18)22(27)24-11-10-16-4-3-5-19(12-16)28-2/h3-9,12-14,26H,10-11H2,1-2H3,(H,24,27)
InChIKeyXTAAESZTPPICMJ-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192661
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188265
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191782
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192774
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109192640) is 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(Nc3ccc(C)c(Cl)c3)cn2)c1.
What is the InChIKey of 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XTAAESZTPPICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-6-7-17(13-20(15)23)26-18-8-9-21(25-14-18)22(27)24-11-10-16-4-3-5-19(12-16)28-2/h3-9,12-14,26H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide?
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109192640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).