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

C21H19ClFN3O2 — CID 109214065

IUPACN-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C21H19ClFN3O2/c1-28-20-7-6-15(22)12-18(20)26-21(27)19-13-16(9-11-25-19)24-10-8-14-4-2-3-5-17(14)23/h2-7,9,11-13H,8,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyVAZHWLSLGUZUSE-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.79
Rot. Bonds7

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

N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109214065) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109214065
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C21H19ClFN3O2/c1-28-20-7-6-15(22)12-18(20)26-21(27)19-13-16(9-11-25-19)24-10-8-14-4-2-3-5-17(14)23/h2-7,9,11-13H,8,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyVAZHWLSLGUZUSE-UHFFFAOYSA-N
XLogP4.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357
4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214072
N-(3-chloro-4-fluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214063
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
N-(2,6-difluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214096
N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-(2,5-dimethoxyphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284387
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206327

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide (CID 109214065) is N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(NCCc2ccccc2F)ccn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is VAZHWLSLGUZUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-28-20-7-6-15(22)12-18(20)26-21(27)19-13-16(9-11-25-19)24-10-8-14-4-2-3-5-17(14)23/h2-7,9,11-13H,8,10H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 399.85 g/mol, XLogP of 4.79, 7 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)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109214065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).