2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile

C20H26N4 — CID 882962

IUPAC2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile
SMILESCC[C@H](C)Cc1nc(N)c(C#N)c(-c2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C20H26N4/c1-6-13(2)11-18-14(3)19(17(12-21)20(22)23-18)15-7-9-16(10-8-15)24(4)5/h7-10,13H,6,11H2,1-5H3,(H2,22,23)/t13-/m0/s1
InChIKeyGNXOVJZWIGMFTM-ZDUSSCGKSA-N
MW322.46 g/mol
LogP4.17
Rot. Bonds5

About 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile

2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile (PubChem CID 882962) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile
PubChem CID882962
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile
SMILESCC[C@H](C)Cc1nc(N)c(C#N)c(-c2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C20H26N4/c1-6-13(2)11-18-14(3)19(17(12-21)20(22)23-18)15-7-9-16(10-8-15)24(4)5/h7-10,13H,6,11H2,1-5H3,(H2,22,23)/t13-/m0/s1
InChIKeyGNXOVJZWIGMFTM-ZDUSSCGKSA-N
XLogP4.17
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile (CID 882962) is 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile is CC[C@H](C)Cc1nc(N)c(C#N)c(-c2ccc(N(C)C)cc2)c1C.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile?
The InChIKey is GNXOVJZWIGMFTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H26N4/c1-6-13(2)11-18-14(3)19(17(12-21)20(22)23-18)15-7-9-16(10-8-15)24(4)5/h7-10,13H,6,11H2,1-5H3,(H2,22,23)/t13-/m0/s1.
What are the key properties of 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile?
2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile has a molecular weight of 322.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile is sourced from PubChem (CID 882962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).