(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile

C14H13N3 — CID 68774707

IUPAC(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
SMILESN#C[C@@H](N)Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C14H13N3/c15-9-14(16)8-11-3-5-12(6-4-11)13-2-1-7-17-10-13/h1-7,10,14H,8,16H2/t14-/m0/s1
InChIKeyLGQFVAFAOHOTLU-AWEZNQCLSA-N
MW223.28 g/mol
LogP2.14
Rot. Bonds3

About (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile

(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile (PubChem CID 68774707) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
PubChem CID68774707
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
SMILESN#C[C@@H](N)Cc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C14H13N3/c15-9-14(16)8-11-3-5-12(6-4-11)13-2-1-7-17-10-13/h1-7,10,14H,8,16H2/t14-/m0/s1
InChIKeyLGQFVAFAOHOTLU-AWEZNQCLSA-N
XLogP2.14
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
3-azulen-6-ylpyridine
CID 86232079
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
2-[(4-pyridin-3-ylphenyl)methylimino]propanedinitrile
CID 167664838
cyclopenta[c]azepine
CID 638010
2-amino-3-(4-iodophenyl)propanenitrile
CID 67269267
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
1-(3-pyridin-3-ylphenyl)propan-2-amine
CID 131562841
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
3-[4-(4-but-3-enylphenyl)phenyl]pyridine
CID 142377075
(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
CID 66511645

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile?
The IUPAC name of (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile (CID 68774707) is (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile.
What is the SMILES notation for (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile?
The canonical SMILES for (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile is N#C[C@@H](N)Cc1ccc(-c2cccnc2)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile?
The InChIKey is LGQFVAFAOHOTLU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13N3/c15-9-14(16)8-11-3-5-12(6-4-11)13-2-1-7-17-10-13/h1-7,10,14H,8,16H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile?
(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile has a molecular weight of 223.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile is sourced from PubChem (CID 68774707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).