2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile

C30H21N3O — CID 141419926

IUPAC2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccccc2)c(CC(=O)c2ccccc2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C30H21N3O/c31-19-26-28(24-16-15-20-9-7-8-14-23(20)17-24)25(18-27(34)21-10-3-1-4-11-21)29(33-30(26)32)22-12-5-2-6-13-22/h1-17H,18H2,(H2,32,33)
InChIKeyWUQSDYVCZWICMQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.45
Rot. Bonds5

About 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile

2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile (PubChem CID 141419926) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile
PubChem CID141419926
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccccc2)c(CC(=O)c2ccccc2)c1-c1ccc2ccccc2c1
InChIInChI=1S/C30H21N3O/c31-19-26-28(24-16-15-20-9-7-8-14-23(20)17-24)25(18-27(34)21-10-3-1-4-11-21)29(33-30(26)32)22-12-5-2-6-13-22/h1-17H,18H2,(H2,32,33)
InChIKeyWUQSDYVCZWICMQ-UHFFFAOYSA-N
XLogP6.45
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
2-amino-4-(4-chlorophenyl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 1046975
2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3400568
2-amino-6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58740095
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
2,4-diamino-6-(3-methoxy-4-phenacyloxyphenyl)pyrimidine-5-carbonitrile
CID 169397653
3,6-diamino-4-(3-fluorophenyl)-2-(naphthalene-2-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 135393895
2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 780926
2-amino-5-methyl-6-(4-methylphenyl)-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 5179024
7-amino-2-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazine-3-carbonitrile
CID 134717238

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile (CID 141419926) is 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile is N#Cc1c(N)nc(-c2ccccc2)c(CC(=O)c2ccccc2)c1-c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is WUQSDYVCZWICMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c31-19-26-28(24-16-15-20-9-7-8-14-23(20)17-24)25(18-27(34)21-10-3-1-4-11-21)29(33-30(26)32)22-12-5-2-6-13-22/h1-17H,18H2,(H2,32,33).
What are the key properties of 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile?
2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 439.52 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-naphthalen-2-yl-5-phenacyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 141419926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).