N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide

C22H22FN3O — CID 109211612

IUPACN-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCc2ccc(F)cc2)ccn1)c1cccc(C)c1
InChIInChI=1S/C22H22FN3O/c1-3-26(20-6-4-5-16(2)13-20)22(27)21-14-19(11-12-24-21)25-15-17-7-9-18(23)10-8-17/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyQRWJLGCOLRKAHT-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.81
Rot. Bonds6

About N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide

N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109211612) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109211612
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCc2ccc(F)cc2)ccn1)c1cccc(C)c1
InChIInChI=1S/C22H22FN3O/c1-3-26(20-6-4-5-16(2)13-20)22(27)21-14-19(11-12-24-21)25-15-17-7-9-18(23)10-8-17/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyQRWJLGCOLRKAHT-UHFFFAOYSA-N
XLogP4.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109208050
N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214380
N-ethyl-5-[(4-methoxyphenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109190548
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087593
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109172719
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109211612) is N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is CCN(C(=O)c1cc(NCc2ccc(F)cc2)ccn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is QRWJLGCOLRKAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-3-26(20-6-4-5-16(2)13-20)22(27)21-14-19(11-12-24-21)25-15-17-7-9-18(23)10-8-17/h4-14H,3,15H2,1-2H3,(H,24,25).
What are the key properties of N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109211612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).