5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile

C10H13N3 — CID 83874430

IUPAC5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile
SMILESCC(CN)Cc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3/c1-8(5-11)4-9-2-3-10(6-12)13-7-9/h2-3,7-8H,4-5,11H2,1H3
InChIKeyGOGJEEATJFMPGN-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.09
Rot. Bonds3

About 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile

5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile (PubChem CID 83874430) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile
PubChem CID83874430
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile
SMILESCC(CN)Cc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3/c1-8(5-11)4-9-2-3-10(6-12)13-7-9/h2-3,7-8H,4-5,11H2,1H3
InChIKeyGOGJEEATJFMPGN-UHFFFAOYSA-N
XLogP1.09
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-oxoethyl)pyridine-2-carbonitrile
CID 83872407
5-[(Z)-2-aminopent-2-enyl]pyridine-2-carbonitrile
CID 154705906
ethane;5-propan-2-ylpyridine-2-carbonitrile
CID 145459140
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
(6-cyano-3-pyridinyl)methyl methanesulfonate
CID 46901655
1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol
CID 69330766
5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
5-(3-methylbutan-2-yl)pyridine-2-carbonitrile
CID 118301745
2-methyl-3-phenylpropan-1-amine
CID 12672558
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile (CID 83874430) is 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile is CC(CN)Cc1ccc(C#N)nc1.
What is the InChIKey of 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile?
The InChIKey is GOGJEEATJFMPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(5-11)4-9-2-3-10(6-12)13-7-9/h2-3,7-8H,4-5,11H2,1H3.
What are the key properties of 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile?
5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile has a molecular weight of 175.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylpropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 83874430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).