N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide

C23H19FN4O2 — CID 143102881

IUPACN-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide
SMILESC=Cc1ccc(C#N)cc1N(Cc1cnc(-c2ccc(OC)nc2)c(F)c1)C(C)=O
InChIInChI=1S/C23H19FN4O2/c1-4-18-6-5-16(11-25)10-21(18)28(15(2)29)14-17-9-20(24)23(27-12-17)19-7-8-22(30-3)26-13-19/h4-10,12-13H,1,14H2,2-3H3
InChIKeyKLJWEFONCCXEIH-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.36
Rot. Bonds6

About N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide

N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide (PubChem CID 143102881) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide
PubChem CID143102881
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide
SMILESC=Cc1ccc(C#N)cc1N(Cc1cnc(-c2ccc(OC)nc2)c(F)c1)C(C)=O
InChIInChI=1S/C23H19FN4O2/c1-4-18-6-5-16(11-25)10-21(18)28(15(2)29)14-17-9-20(24)23(27-12-17)19-7-8-22(30-3)26-13-19/h4-10,12-13H,1,14H2,2-3H3
InChIKeyKLJWEFONCCXEIH-UHFFFAOYSA-N
XLogP4.36
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

1-[(4-cyano-2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile
CID 118967146
2-(4-cyano-3-fluorophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-3H-pyrrole-5-carboxamide
CID 144991281
(4-cyano-2-ethenylphenyl) acetate
CID 10631434
methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
CID 162105536
4-[6-[3-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,5-dihydro-1,2,4-triazol-5-yl]-3-pyridinyl]-3-methylbenzonitrile
CID 143019147
methyl 4-(4-cyano-2-fluorophenyl)but-3-enoate
CID 170500893
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
(E)-3-(2-fluoro-4-methylphenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
CID 87237188
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
3-(4-cyano-2-methoxyphenoxy)-6-(6-methoxy-3-pyridinyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
CID 175490312

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide (CID 143102881) is N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide is C=Cc1ccc(C#N)cc1N(Cc1cnc(-c2ccc(OC)nc2)c(F)c1)C(C)=O.
What is the InChIKey of N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is KLJWEFONCCXEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-4-18-6-5-16(11-25)10-21(18)28(15(2)29)14-17-9-20(24)23(27-12-17)19-7-8-22(30-3)26-13-19/h4-10,12-13H,1,14H2,2-3H3.
What are the key properties of N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide?
N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-ethenylphenyl)-N-[[5-fluoro-6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 143102881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).