6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide

C20H17Cl2N3O2 — CID 10201098

IUPAC6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2nc(Cl)ccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17Cl2N3O2/c1-27-16-8-2-13(3-9-16)12-23-19-17(10-11-18(22)25-19)20(26)24-15-6-4-14(21)5-7-15/h2-11H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWSYHESLLOFKCFE-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.26
Rot. Bonds6

About 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide

6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 10201098) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID10201098
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2nc(Cl)ccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17Cl2N3O2/c1-27-16-8-2-13(3-9-16)12-23-19-17(10-11-18(22)25-19)20(26)24-15-6-4-14(21)5-7-15/h2-11H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWSYHESLLOFKCFE-UHFFFAOYSA-N
XLogP5.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10275331
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide
CID 90757999
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide (CID 10201098) is 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide is COc1ccc(CNc2nc(Cl)ccc2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is WSYHESLLOFKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-27-16-8-2-13(3-9-16)12-23-19-17(10-11-18(22)25-19)20(26)24-15-6-4-14(21)5-7-15/h2-11H,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide?
6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 402.28 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10201098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).