6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile

C15H14FN3 — CID 62197922

IUPAC6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(-c2cccc(F)c2)ccc1C#N
InChIInChI=1S/C15H14FN3/c1-2-8-18-15-12(10-17)6-7-14(19-15)11-4-3-5-13(16)9-11/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyRNOOSTVHZHENKI-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.58
Rot. Bonds4

About 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile

6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile (PubChem CID 62197922) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
PubChem CID62197922
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(-c2cccc(F)c2)ccc1C#N
InChIInChI=1S/C15H14FN3/c1-2-8-18-15-12(10-17)6-7-14(19-15)11-4-3-5-13(16)9-11/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyRNOOSTVHZHENKI-UHFFFAOYSA-N
XLogP3.58
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
ST001233
CID 610514
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
4-[2-Amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130576

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile (CID 62197922) is 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile is CCCNc1nc(-c2cccc(F)c2)ccc1C#N.
What is the InChIKey of 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile?
The InChIKey is RNOOSTVHZHENKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-2-8-18-15-12(10-17)6-7-14(19-15)11-4-3-5-13(16)9-11/h3-7,9H,2,8H2,1H3,(H,18,19).
What are the key properties of 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile?
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62197922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).