N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

C22H17FN4O — CID 70978815

IUPACN-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(C#N)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H17FN4O/c1-3-18(16-6-4-15(10-24)5-7-16)17-8-9-21(26-11-17)27-22(28)19-12-25-13-20(23)14(19)2/h3-9,11-13H,1-2H3,(H,26,27,28)/b18-3-
InChIKeyZYYAMXQVWUDNPM-ZUWFHJRGSA-N
MW372.40 g/mol
LogP4.50
Rot. Bonds4

About N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978815) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978815
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(C#N)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H17FN4O/c1-3-18(16-6-4-15(10-24)5-7-16)17-8-9-21(26-11-17)27-22(28)19-12-25-13-20(23)14(19)2/h3-9,11-13H,1-2H3,(H,26,27,28)/b18-3-
InChIKeyZYYAMXQVWUDNPM-ZUWFHJRGSA-N
XLogP4.50
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978815) is N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is C/C=C(/c1ccc(C#N)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is ZYYAMXQVWUDNPM-ZUWFHJRGSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-3-18(16-6-4-15(10-24)5-7-16)17-8-9-21(26-11-17)27-22(28)19-12-25-13-20(23)14(19)2/h3-9,11-13H,1-2H3,(H,26,27,28)/b18-3-.
What are the key properties of N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-1-(4-cyanophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).