1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile

C24H23N3 — CID 145494161

IUPAC1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile
SMILESC=C=C(CCC)c1cc(-n2cc(C#N)c(-c3ccccc3)c2)ncc1CC
InChIInChI=1S/C24H23N3/c1-4-10-18(5-2)22-13-24(26-15-19(22)6-3)27-16-21(14-25)23(17-27)20-11-8-7-9-12-20/h7-9,11-13,15-17H,2,4,6,10H2,1,3H3
InChIKeyNGTDWFIIOOYRNI-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.94
Rot. Bonds6

About 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile

1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile (PubChem CID 145494161) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile
PubChem CID145494161
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile
SMILESC=C=C(CCC)c1cc(-n2cc(C#N)c(-c3ccccc3)c2)ncc1CC
InChIInChI=1S/C24H23N3/c1-4-10-18(5-2)22-13-24(26-15-19(22)6-3)27-16-21(14-25)23(17-27)20-11-8-7-9-12-20/h7-9,11-13,15-17H,2,4,6,10H2,1,3H3
InChIKeyNGTDWFIIOOYRNI-UHFFFAOYSA-N
XLogP5.94
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-ethyl-4-phenylpyrrol-1-yl)-5-methoxypyridine-4-carboxylate
CID 163800230
5-(3-cyano-4-phenylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 59477683
2-[3-cyano-4-(4-methoxyphenyl)pyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477938
4-(3-cyano-4-phenylpyrrol-1-yl)-2-methylbenzoic acid
CID 118052357
ethyl 2-[3-(4-tert-butylphenyl)-4-cyanopyrrol-1-yl]pyridine-4-carboxylate
CID 59477749
ethyl 4-(3-cyano-4-phenylpyrrol-1-yl)-3-fluorobenzoate
CID 59477932
ethane;5-ethyl-2-phenylbenzonitrile
CID 145394501
4-(3-cyanophenyl)-1-[4-(1-hydroxyethenyl)-3-methylphenyl]pyrrole-3-carbonitrile
CID 145494085
2-(4-pent-1-en-2-ylphenyl)benzonitrile
CID 143621524
ethyl 4-[3-[3-(2-acetyloxyethoxy)phenyl]-4-cyanopyrrol-1-yl]benzoate
CID 59477852
4-(2-cyanophenyl)-2-(4-propylphenyl)pyrimidine-5-carboxylic acid
CID 67899155
2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile
CID 166763209

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile?
The IUPAC name of 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile (CID 145494161) is 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile.
What is the SMILES notation for 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile?
The canonical SMILES for 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile is C=C=C(CCC)c1cc(-n2cc(C#N)c(-c3ccccc3)c2)ncc1CC.
What is the InChIKey of 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile?
The InChIKey is NGTDWFIIOOYRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-4-10-18(5-2)22-13-24(26-15-19(22)6-3)27-16-21(14-25)23(17-27)20-11-8-7-9-12-20/h7-9,11-13,15-17H,2,4,6,10H2,1,3H3.
What are the key properties of 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile?
1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile has a molecular weight of 353.47 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-hexa-1,2-dien-3-yl-2-pyridinyl)-4-phenylpyrrole-3-carbonitrile is sourced from PubChem (CID 145494161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).