5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile

C24H23N3O2 — CID 91274704

IUPAC5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile
SMILESC=Cc1c(CC2CC2)c(C(=O)c2cc(C#N)cc(C#N)c2)c(C(C)C)c(=O)n1C
InChIInChI=1S/C24H23N3O2/c1-5-20-19(11-15-6-7-15)22(21(14(2)3)24(29)27(20)4)23(28)18-9-16(12-25)8-17(10-18)13-26/h5,8-10,14-15H,1,6-7,11H2,2-4H3
InChIKeyZZZLCRAWEMINIX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.08
Rot. Bonds6

About 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile

5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile (PubChem CID 91274704) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile
PubChem CID91274704
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile
SMILESC=Cc1c(CC2CC2)c(C(=O)c2cc(C#N)cc(C#N)c2)c(C(C)C)c(=O)n1C
InChIInChI=1S/C24H23N3O2/c1-5-20-19(11-15-6-7-15)22(21(14(2)3)24(29)27(20)4)23(28)18-9-16(12-25)8-17(10-18)13-26/h5,8-10,14-15H,1,6-7,11H2,2-4H3
InChIKeyZZZLCRAWEMINIX-UHFFFAOYSA-N
XLogP4.08
TPSA86.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(cyanomethyl)-3-(cyclopropylmethyl)-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile
CID 44611737
[3-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-oxo-5-propan-2-yl-1H-pyridin-2-yl]methyl acetate;3-[3-(cyclopropylmethyl)-2-(hydroxymethyl)-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]-5-methylbenzonitrile
CID 123335505
5-[3-[(1-hydroxycyclopropyl)methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile
CID 44611866
3-amino-5-[3-(cyclopropylmethyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzonitrile;5-[3-[(1-cyanocyclopropyl)methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile;5-[3-[(1-hydroxycyclopropyl)methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile;5-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methyl-6-oxo-5-propan-2-yl-1H-pyridine-4-carbonyl]benzene-1,3-dicarbonitrile
CID 158173481
5-(cyclopropylmethyl)-4-(3,5-dimethylbenzoyl)-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 58369551
5-[[3-(cyclopropylmethyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridin-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 44611990
2-[6-(3-cyano-5-methylbenzoyl)-3-methyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]ethyl carbamate
CID 89469291
2-[6-(3-cyano-5-methylbenzoyl)-3-methyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]ethyl acetate
CID 89469289
3-chloro-5-[[3-(cyclopropylmethyl)-2-methyl-6-oxo-5-propan-2-yl-1H-pyridin-4-yl]oxy]benzonitrile
CID 44611991
3-[3-ethyl-1-(iodomethyl)-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile
CID 89200898
[4-(3-cyano-5-methylbenzoyl)-3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl 2-aminopropanoate
CID 71035448
3,4,5-tri(propan-2-yl)benzonitrile
CID 142404502

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile (CID 91274704) is 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile is C=Cc1c(CC2CC2)c(C(=O)c2cc(C#N)cc(C#N)c2)c(C(C)C)c(=O)n1C.
What is the InChIKey of 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile?
The InChIKey is ZZZLCRAWEMINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-5-20-19(11-15-6-7-15)22(21(14(2)3)24(29)27(20)4)23(28)18-9-16(12-25)8-17(10-18)13-26/h5,8-10,14-15H,1,6-7,11H2,2-4H3.
What are the key properties of 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile?
5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile has a molecular weight of 385.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethyl)-2-ethenyl-1-methyl-6-oxo-5-propan-2-ylpyridine-4-carbonyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 91274704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).