2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile

C18H22N4O — CID 25179420

IUPAC2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCNc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC(C)C
InChIInChI=1S/C18H22N4O/c1-11(2)9-14-16(12-5-7-13(23-4)8-6-12)15(10-19)17(20)22-18(14)21-3/h5-8,11H,9H2,1-4H3,(H3,20,21,22)
InChIKeyFSLJYKZHHSZPNX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.45
Rot. Bonds5

About 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile (PubChem CID 25179420) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile
PubChem CID25179420
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCNc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC(C)C
InChIInChI=1S/C18H22N4O/c1-11(2)9-14-16(12-5-7-13(23-4)8-6-12)15(10-19)17(20)22-18(14)21-3/h5-8,11H,9H2,1-4H3,(H3,20,21,22)
InChIKeyFSLJYKZHHSZPNX-UHFFFAOYSA-N
XLogP3.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-methoxyphenyl)-5-(2-methylpropyl)-6-prop-2-enoxypyridine-3-carbonitrile
CID 25180166
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
3,6-diamino-5-cyano-N,4-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23733033
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 783110
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile
CID 147347191
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile (CID 25179420) is 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile is CNc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1CC(C)C.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile?
The InChIKey is FSLJYKZHHSZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11(2)9-14-16(12-5-7-13(23-4)8-6-12)15(10-19)17(20)22-18(14)21-3/h5-8,11H,9H2,1-4H3,(H3,20,21,22).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6-(methylamino)-5-(2-methylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 25179420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).