N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide

C20H17ClFN3O2 — CID 109189781

IUPACN-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H17ClFN3O2/c1-27-19-9-4-14(21)10-18(19)25-20(26)17-8-7-16(12-24-17)23-11-13-2-5-15(22)6-3-13/h2-10,12,23H,11H2,1H3,(H,25,26)
InChIKeyDZPOMWJJPZGTOI-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.75
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109189781) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109189781
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C20H17ClFN3O2/c1-27-19-9-4-14(21)10-18(19)25-20(26)17-8-7-16(12-24-17)23-11-13-2-5-15(22)6-3-13/h2-10,12,23H,11H2,1H3,(H,25,26)
InChIKeyDZPOMWJJPZGTOI-UHFFFAOYSA-N
XLogP4.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
N-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188808
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide (CID 109189781) is N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is DZPOMWJJPZGTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-27-19-9-4-14(21)10-18(19)25-20(26)17-8-7-16(12-24-17)23-11-13-2-5-15(22)6-3-13/h2-10,12,23H,11H2,1H3,(H,25,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109189781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).