2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile

C24H25N3O2 — CID 3116796

IUPAC2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N3O2/c1-4-5-11-18-22(17-12-13-20(28-2)21(14-17)29-3)19(15-25)24(26)27-23(18)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11H2,1-3H3,(H2,26,27)
InChIKeyGMNVFISXNQRCNA-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.23
Rot. Bonds7

About 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile

2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 3116796) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID3116796
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H25N3O2/c1-4-5-11-18-22(17-12-13-20(28-2)21(14-17)29-3)19(15-25)24(26)27-23(18)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11H2,1-3H3,(H2,26,27)
InChIKeyGMNVFISXNQRCNA-UHFFFAOYSA-N
XLogP5.23
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-1-ium-3-carbonitrile
CID 7378052
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-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329
2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile
CID 4635175
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 8615264
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3400568
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile (CID 3116796) is 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile is CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is GMNVFISXNQRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-4-5-11-18-22(17-12-13-20(28-2)21(14-17)29-3)19(15-25)24(26)27-23(18)16-9-7-6-8-10-16/h6-10,12-14H,4-5,11H2,1-3H3,(H2,26,27).
What are the key properties of 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile?
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 387.48 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3116796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).