N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide

C21H20FN3O — CID 109232883

IUPACN-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cncc(C(=O)NCc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15(17-5-3-2-4-6-17)25-20-11-18(13-23-14-20)21(26)24-12-16-7-9-19(22)10-8-16/h2-11,13-15,25H,12H2,1H3,(H,24,26)
InChIKeySQPULOMSOPWFDH-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.32
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109232883) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109232883
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cncc(C(=O)NCc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15(17-5-3-2-4-6-17)25-20-11-18(13-23-14-20)21(26)24-12-16-7-9-19(22)10-8-16/h2-11,13-15,25H,12H2,1H3,(H,24,26)
InChIKeySQPULOMSOPWFDH-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109227650
N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109229099
N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232942
5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105346
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
3-N-[(2-fluorophenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105337
N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide (CID 109232883) is N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1cncc(C(=O)NCc2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is SQPULOMSOPWFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15(17-5-3-2-4-6-17)25-20-11-18(13-23-14-20)21(26)24-12-16-7-9-19(22)10-8-16/h2-11,13-15,25H,12H2,1H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109232883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).