3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile

C12H17N3 — CID 102794676

IUPAC3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile
SMILESCc1cncc(CN(C)C(C)CC#N)c1
InChIInChI=1S/C12H17N3/c1-10-6-12(8-14-7-10)9-15(3)11(2)4-5-13/h6-8,11H,4,9H2,1-3H3
InChIKeyAOXUZPFCCMOXNT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.12
Rot. Bonds4

About 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile

3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile (PubChem CID 102794676) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile
PubChem CID102794676
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile
SMILESCc1cncc(CN(C)C(C)CC#N)c1
InChIInChI=1S/C12H17N3/c1-10-6-12(8-14-7-10)9-15(3)11(2)4-5-13/h6-8,11H,4,9H2,1-3H3
InChIKeyAOXUZPFCCMOXNT-UHFFFAOYSA-N
XLogP2.12
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]butanenitrile
CID 112631310
3-[(4-aminophenyl)methyl-methylamino]butanenitrile
CID 63225440
3-[(3,4-difluorophenyl)methyl-methylamino]butanenitrile
CID 78969693
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
3-[methyl-[(2-methylphenyl)methyl]amino]butanenitrile
CID 61360593
3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
CID 104531758
(3R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]butanenitrile
CID 95975626
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]butanenitrile
CID 79235555
3-[(2,5-difluorophenyl)methyl-methylamino]butanenitrile
CID 55218439
4-[[1-cyanopropan-2-yl(methyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974377
3-[(5-hydrazinylpyrazin-2-yl)methyl-methylamino]butanenitrile
CID 103060976
3-[(2-bromo-5-methoxyphenyl)methyl-methylamino]butanenitrile
CID 65323331

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile?
The IUPAC name of 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile (CID 102794676) is 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile.
What is the SMILES notation for 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile?
The canonical SMILES for 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile is Cc1cncc(CN(C)C(C)CC#N)c1.
What is the InChIKey of 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile?
The InChIKey is AOXUZPFCCMOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-6-12(8-14-7-10)9-15(3)11(2)4-5-13/h6-8,11H,4,9H2,1-3H3.
What are the key properties of 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile?
3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]butanenitrile is sourced from PubChem (CID 102794676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).