5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile

C18H17N3O — CID 118946244

IUPAC5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile
SMILESCc1ccc(N)cc1-c1cnc(C2=CCOCC2)c(C#N)c1
InChIInChI=1S/C18H17N3O/c1-12-2-3-16(20)9-17(12)15-8-14(10-19)18(21-11-15)13-4-6-22-7-5-13/h2-4,8-9,11H,5-7,20H2,1H3
InChIKeyOWRXUZNMMTWKQD-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.31
Rot. Bonds2

About 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile

5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile (PubChem CID 118946244) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile
PubChem CID118946244
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile
SMILESCc1ccc(N)cc1-c1cnc(C2=CCOCC2)c(C#N)c1
InChIInChI=1S/C18H17N3O/c1-12-2-3-16(20)9-17(12)15-8-14(10-19)18(21-11-15)13-4-6-22-7-5-13/h2-4,8-9,11H,5-7,20H2,1H3
InChIKeyOWRXUZNMMTWKQD-UHFFFAOYSA-N
XLogP3.31
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(5-amino-2-methylphenyl)-2-(oxan-4-ylamino)pyridine-3-carbonitrile
CID 118946273
5-(5-amino-2-methylphenyl)-2-(dimethylamino)pyridine-3-carbonitrile;5-bromo-2-(dimethylamino)pyridine-3-carbonitrile
CID 158413042
5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile
CID 159674175
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane
CID 143899778
4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline
CID 22625755
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline
CID 90456484
4-amino-2-(2-methylphenyl)benzonitrile
CID 70133478
4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
CID 155718233
9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol
CID 166656655
5-[2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118537627
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile (CID 118946244) is 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile is Cc1ccc(N)cc1-c1cnc(C2=CCOCC2)c(C#N)c1.
What is the InChIKey of 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile?
The InChIKey is OWRXUZNMMTWKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-2-3-16(20)9-17(12)15-8-14(10-19)18(21-11-15)13-4-6-22-7-5-13/h2-4,8-9,11H,5-7,20H2,1H3.
What are the key properties of 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile?
5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methylphenyl)-2-(3,6-dihydro-2H-pyran-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 118946244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).