4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile

C16H17N3 — CID 117048448

IUPAC4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
SMILESCC(CN)(Cc1cccnc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3/c1-16(12-18,9-14-3-2-8-19-11-14)15-6-4-13(10-17)5-7-15/h2-8,11H,9,12,18H2,1H3
InChIKeyMOANWQSBKUZMQF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.41
Rot. Bonds4

About 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile

4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile (PubChem CID 117048448) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
PubChem CID117048448
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
SMILESCC(CN)(Cc1cccnc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3/c1-16(12-18,9-14-3-2-8-19-11-14)15-6-4-13(10-17)5-7-15/h2-8,11H,9,12,18H2,1H3
InChIKeyMOANWQSBKUZMQF-UHFFFAOYSA-N
XLogP2.41
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048447
2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048315
(2S)-2-methyl-2-naphthalen-2-yl-3-pyridin-3-ylpropan-1-amine
CID 118675585
ethyl 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoate
CID 117048352
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
CID 117048430
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-fluoro-3-methyl-2-(pyridin-3-ylmethyl)butan-1-amine
CID 104737459
2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile
CID 82082122
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile?
The IUPAC name of 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile (CID 117048448) is 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile.
What is the SMILES notation for 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile?
The canonical SMILES for 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile is CC(CN)(Cc1cccnc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile?
The InChIKey is MOANWQSBKUZMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(12-18,9-14-3-2-8-19-11-14)15-6-4-13(10-17)5-7-15/h2-8,11H,9,12,18H2,1H3.
What are the key properties of 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile?
4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile has a molecular weight of 251.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile is sourced from PubChem (CID 117048448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).