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

C21H20ClN3O2 — CID 109171051

IUPAC2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-7-8-17(12-18(14)22)25-20-11-15(9-10-23-20)21(26)24-13-16-5-3-4-6-19(16)27-2/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUNCGDVUKLDLWDM-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds6

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

2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109171051) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID109171051
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-7-8-17(12-18(14)22)25-20-11-15(9-10-23-20)21(26)24-13-16-5-3-4-6-19(16)27-2/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUNCGDVUKLDLWDM-UHFFFAOYSA-N
XLogP4.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
2-(2,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172748
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109170764
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (CID 109171051) is 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is COc1ccccc1CNC(=O)c1ccnc(Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is UNCGDVUKLDLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-7-8-17(12-18(14)22)25-20-11-15(9-10-23-20)21(26)24-13-16-5-3-4-6-19(16)27-2/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109171051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).