5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile

C17H18N4O — CID 130417937

IUPAC5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile
SMILESCc1ncc(N)cc1-c1cnc(C2CC(C)(O)C2)c(C#N)c1
InChIInChI=1S/C17H18N4O/c1-10-15(4-14(19)9-20-10)12-3-11(7-18)16(21-8-12)13-5-17(2,22)6-13/h3-4,8-9,13,22H,5-6,19H2,1-2H3
InChIKeyMSOGLJXPIGJPQC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.53
Rot. Bonds2

About 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile

5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile (PubChem CID 130417937) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile
PubChem CID130417937
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile
SMILESCc1ncc(N)cc1-c1cnc(C2CC(C)(O)C2)c(C#N)c1
InChIInChI=1S/C17H18N4O/c1-10-15(4-14(19)9-20-10)12-3-11(7-18)16(21-8-12)13-5-17(2,22)6-13/h3-4,8-9,13,22H,5-6,19H2,1-2H3
InChIKeyMSOGLJXPIGJPQC-UHFFFAOYSA-N
XLogP2.53
TPSA95.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile (CID 130417937) is 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile is Cc1ncc(N)cc1-c1cnc(C2CC(C)(O)C2)c(C#N)c1.
What is the InChIKey of 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
The InChIKey is MSOGLJXPIGJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-10-15(4-14(19)9-20-10)12-3-11(7-18)16(21-8-12)13-5-17(2,22)6-13/h3-4,8-9,13,22H,5-6,19H2,1-2H3.
What are the key properties of 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methyl-3-pyridinyl)-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130417937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).