[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate

C20H15N3O2 — CID 175005672

IUPAC[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate
SMILESCc1cc(OC(N)=O)c(-c2ccccc2)nc1-c1ccc(C#N)cc1
InChIInChI=1S/C20H15N3O2/c1-13-11-17(25-20(22)24)19(15-5-3-2-4-6-15)23-18(13)16-9-7-14(12-21)8-10-16/h2-11H,1H3,(H2,22,24)
InChIKeyOBVPBKVFWVNATM-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.05
Rot. Bonds3

About [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate

[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate (PubChem CID 175005672) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate
PubChem CID175005672
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate
SMILESCc1cc(OC(N)=O)c(-c2ccccc2)nc1-c1ccc(C#N)cc1
InChIInChI=1S/C20H15N3O2/c1-13-11-17(25-20(22)24)19(15-5-3-2-4-6-15)23-18(13)16-9-7-14(12-21)8-10-16/h2-11H,1H3,(H2,22,24)
InChIKeyOBVPBKVFWVNATM-UHFFFAOYSA-N
XLogP4.05
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide
CID 156843133
benzonitrile;[3-(2-ethylhydrazinyl)-2-fluorophenyl] carbamate
CID 174632385
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
CID 68627082
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
(4-cyanophenyl) 6-methylpyridine-2-carboxylate
CID 31704187
[4-(5-cyano-2-methylphenoxy)-2-phenylpyrimidin-5-yl] ethyl carbonate
CID 69385160
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[(2-anilino-4-phenyl-1,3-thiazol-5-yl)oxy]-3,5-dimethylbenzonitrile
CID 72706432
4-[dimethyl(phenyl)silyl]carbonylbenzonitrile
CID 14937840
4-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 139525696
bis(4-cyanophenyl) pyridine-2,6-dicarboxylate
CID 1150999

Frequently Asked Questions

What is the IUPAC name of [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate?
The IUPAC name of [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate (CID 175005672) is [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate.
What is the SMILES notation for [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate?
The canonical SMILES for [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate is Cc1cc(OC(N)=O)c(-c2ccccc2)nc1-c1ccc(C#N)cc1.
What is the InChIKey of [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate?
The InChIKey is OBVPBKVFWVNATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-11-17(25-20(22)24)19(15-5-3-2-4-6-15)23-18(13)16-9-7-14(12-21)8-10-16/h2-11H,1H3,(H2,22,24).
What are the key properties of [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate?
[6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate has a molecular weight of 329.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyanophenyl)-5-methyl-2-phenyl-3-pyridinyl] carbamate is sourced from PubChem (CID 175005672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).