2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide

C20H18ClN3O2 — CID 109170966

IUPAC2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O2/c1-26-18-5-3-2-4-17(18)24-20(25)15-10-11-22-19(12-15)23-13-14-6-8-16(21)9-7-14/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyRNLBOHLEIGXRHF-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.61
Rot. Bonds6

About 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109170966) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109170966
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O2/c1-26-18-5-3-2-4-17(18)24-20(25)15-10-11-22-19(12-15)23-13-14-6-8-16(21)9-7-14/h2-12H,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyRNLBOHLEIGXRHF-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170960
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171310
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
2-(2-chloroanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177396
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170977
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109170970
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172819

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide (CID 109170966) is 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is RNLBOHLEIGXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-18-5-3-2-4-17(18)24-20(25)15-10-11-22-19(12-15)23-13-14-6-8-16(21)9-7-14/h2-12H,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).