2-(2-methylpropylamino)pyridine-4-carbonitrile

C10H13N3 — CID 24707878

IUPAC2-(2-methylpropylamino)pyridine-4-carbonitrile
SMILESCC(C)CNc1cc(C#N)ccn1
InChIInChI=1S/C10H13N3/c1-8(2)7-13-10-5-9(6-11)3-4-12-10/h3-5,8H,7H2,1-2H3,(H,12,13)
InChIKeyYYCJPGQREOVZSJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-methylpropylamino)pyridine-4-carbonitrile

2-(2-methylpropylamino)pyridine-4-carbonitrile (PubChem CID 24707878) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-methylpropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropylamino)pyridine-4-carbonitrile
PubChem CID24707878
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(2-methylpropylamino)pyridine-4-carbonitrile
SMILESCC(C)CNc1cc(C#N)ccn1
InChIInChI=1S/C10H13N3/c1-8(2)7-13-10-5-9(6-11)3-4-12-10/h3-5,8H,7H2,1-2H3,(H,12,13)
InChIKeyYYCJPGQREOVZSJ-UHFFFAOYSA-N
XLogP2.02
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
CID 115302962
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744
2-[(2-cyclopropyl-2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 63296137
2-[[2-(diethylamino)-2-phenylethyl]amino]pyridine-4-carbonitrile
CID 43823027
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile
CID 63049531

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-methylpropylamino)pyridine-4-carbonitrile (CID 24707878) is 2-(2-methylpropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methylpropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methylpropylamino)pyridine-4-carbonitrile is CC(C)CNc1cc(C#N)ccn1.
What is the InChIKey of 2-(2-methylpropylamino)pyridine-4-carbonitrile?
The InChIKey is YYCJPGQREOVZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)7-13-10-5-9(6-11)3-4-12-10/h3-5,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropylamino)pyridine-4-carbonitrile?
2-(2-methylpropylamino)pyridine-4-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 24707878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).