N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide

C20H18ClN3O2 — CID 109170897

IUPACN-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-26-18-4-2-3-17(12-18)24-19-11-15(9-10-22-19)20(25)23-13-14-5-7-16(21)8-6-14/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHWKWIEXETCAWRX-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.42
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide (PubChem CID 109170897) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
PubChem CID109170897
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C20H18ClN3O2/c1-26-18-4-2-3-17(12-18)24-19-11-15(9-10-22-19)20(25)23-13-14-5-7-16(21)8-6-14/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHWKWIEXETCAWRX-UHFFFAOYSA-N
XLogP4.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide (CID 109170897) is N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide is COc1cccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
The InChIKey is HWKWIEXETCAWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-18-4-2-3-17(12-18)24-19-11-15(9-10-22-19)20(25)23-13-14-5-7-16(21)8-6-14/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109170897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).