6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile

C16H17N3O — CID 82123088

IUPAC6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(NC(C)C)n2)c1
InChIInChI=1S/C16H17N3O/c1-11(2)18-16-13(10-17)7-8-15(19-16)12-5-4-6-14(9-12)20-3/h4-9,11H,1-3H3,(H,18,19)
InChIKeyWVXGCKMOERHLRD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.45
Rot. Bonds4

About 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile

6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 82123088) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
PubChem CID82123088
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2ccc(C#N)c(NC(C)C)n2)c1
InChIInChI=1S/C16H17N3O/c1-11(2)18-16-13(10-17)7-8-15(19-16)12-5-4-6-14(9-12)20-3/h4-9,11H,1-3H3,(H,18,19)
InChIKeyWVXGCKMOERHLRD-UHFFFAOYSA-N
XLogP3.45
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-6-(3-methylphenyl)pyridine-3-carbonitrile
CID 62196307
N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide
CID 7719451
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
6-(2,4-dimethoxyphenyl)-2-(methylamino)pyridine-3-carbonitrile
CID 62196138
3-(3-methoxyphenyl)-1,2-oxazole-5-carbonitrile
CID 845058
2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile
CID 39356939
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23801754
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749478
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
1-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]ethanamine
CID 82452985
2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 10538832

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile (CID 82123088) is 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile is COc1cccc(-c2ccc(C#N)c(NC(C)C)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is WVXGCKMOERHLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(2)18-16-13(10-17)7-8-15(19-16)12-5-4-6-14(9-12)20-3/h4-9,11H,1-3H3,(H,18,19).
What are the key properties of 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile?
6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82123088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).