2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile

C10H12FN3 — CID 130504273

IUPAC2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCCF)n1
InChIInChI=1S/C10H12FN3/c1-8-3-4-9(7-12)10(14-8)13-6-2-5-11/h3-4H,2,5-6H2,1H3,(H,13,14)
InChIKeyMXFRYGLSDUVBOT-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.03
Rot. Bonds4

About 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile

2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile (PubChem CID 130504273) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
PubChem CID130504273
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCCF)n1
InChIInChI=1S/C10H12FN3/c1-8-3-4-9(7-12)10(14-8)13-6-2-5-11/h3-4H,2,5-6H2,1H3,(H,13,14)
InChIKeyMXFRYGLSDUVBOT-UHFFFAOYSA-N
XLogP2.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(octylamino)pyridine-3-carbonitrile
CID 113337282
2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
CID 106842221
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
5-[(3-cyano-6-methyl-2-pyridinyl)amino]pentanamide
CID 106236909
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile
CID 103801614
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 79749151
6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 113343673
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
CID 107488727
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile (CID 130504273) is 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCCF)n1.
What is the InChIKey of 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile?
The InChIKey is MXFRYGLSDUVBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-8-3-4-9(7-12)10(14-8)13-6-2-5-11/h3-4H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile?
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile has a molecular weight of 193.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130504273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).