2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile

C18H20N4O2 — CID 883053

IUPAC2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C18H20N4O2/c1-4-11(2)9-16-12(3)17(15(10-19)18(20)21-16)13-5-7-14(8-6-13)22(23)24/h5-8,11H,4,9H2,1-3H3,(H2,20,21)/t11-/m1/s1
InChIKeyYJMWHWQDYJJZQR-LLVKDONJSA-N
MW324.38 g/mol
LogP4.01
Rot. Bonds5

About 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile

2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 883053) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
PubChem CID883053
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile
SMILESCC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C18H20N4O2/c1-4-11(2)9-16-12(3)17(15(10-19)18(20)21-16)13-5-7-14(8-6-13)22(23)24/h5-8,11H,4,9H2,1-3H3,(H2,20,21)/t11-/m1/s1
InChIKeyYJMWHWQDYJJZQR-LLVKDONJSA-N
XLogP4.01
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453
2-amino-4-[4-(dimethylamino)phenyl]-5-methyl-6-[(2S)-2-methylbutyl]pyridine-3-carbonitrile
CID 882962
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
CID 882406
6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 54752600
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064
2-amino-4-(3,4-dichlorophenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 4634661
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634975
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile (CID 883053) is 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile is CC[C@@H](C)Cc1nc(N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is YJMWHWQDYJJZQR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-11(2)9-16-12(3)17(15(10-19)18(20)21-16)13-5-7-14(8-6-13)22(23)24/h5-8,11H,4,9H2,1-3H3,(H2,20,21)/t11-/m1/s1.
What are the key properties of 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile?
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-(4-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 883053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).