4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile

C17H19N3O — CID 107660604

IUPAC4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
SMILESCCCNc1ccnc(COc2cc(C#N)ccc2C)c1
InChIInChI=1S/C17H19N3O/c1-3-7-19-15-6-8-20-16(10-15)12-21-17-9-14(11-18)5-4-13(17)2/h4-6,8-10H,3,7,12H2,1-2H3,(H,19,20)
InChIKeyFCHKZJYAFFPFIW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.66
Rot. Bonds6

About 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile

4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile (PubChem CID 107660604) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
PubChem CID107660604
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
SMILESCCCNc1ccnc(COc2cc(C#N)ccc2C)c1
InChIInChI=1S/C17H19N3O/c1-3-7-19-15-6-8-20-16(10-15)12-21-17-9-14(11-18)5-4-13(17)2/h4-6,8-10H,3,7,12H2,1-2H3,(H,19,20)
InChIKeyFCHKZJYAFFPFIW-UHFFFAOYSA-N
XLogP3.66
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79250898
4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 79244990
N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
CID 79261906
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
4-[[4-(propylamino)-2-pyridinyl]methoxy]benzamide
CID 79245655
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662517
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile (CID 107660604) is 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile is CCCNc1ccnc(COc2cc(C#N)ccc2C)c1.
What is the InChIKey of 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile?
The InChIKey is FCHKZJYAFFPFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-7-19-15-6-8-20-16(10-15)12-21-17-9-14(11-18)5-4-13(17)2/h4-6,8-10H,3,7,12H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile?
4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 107660604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).