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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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).