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

C21H20ClN3O2 — CID 109170970

IUPAC2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-19-9-7-18(8-10-19)25-21(26)16-11-12-23-20(13-16)24-14-15-3-5-17(22)6-4-15/h3-13H,2,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyOAGFIXZKQSRTRT-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.00
Rot. Bonds7

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

2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109170970) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
PubChem CID109170970
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-19-9-7-18(8-10-19)25-21(26)16-11-12-23-20(13-16)24-14-15-3-5-17(22)6-4-15/h3-13H,2,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyOAGFIXZKQSRTRT-UHFFFAOYSA-N
XLogP5.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109119854
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170977
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109173853
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
N-(3,4-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170705
2-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170960

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide (CID 109170970) is 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is OAGFIXZKQSRTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-27-19-9-7-18(8-10-19)25-21(26)16-11-12-23-20(13-16)24-14-15-3-5-17(22)6-4-15/h3-13H,2,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 5.00, 7 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-(4-ethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).