3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile

C13H18N4 — CID 79243547

IUPAC3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile
SMILESCNc1cccc(CN(CCC#N)C2CC2)n1
InChIInChI=1S/C13H18N4/c1-15-13-5-2-4-11(16-13)10-17(9-3-8-14)12-6-7-12/h2,4-5,12H,3,6-7,9-10H2,1H3,(H,15,16)
InChIKeyUDECOIURJYWOHZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.00
Rot. Bonds6

About 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile

3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile (PubChem CID 79243547) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile
PubChem CID79243547
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile
SMILESCNc1cccc(CN(CCC#N)C2CC2)n1
InChIInChI=1S/C13H18N4/c1-15-13-5-2-4-11(16-13)10-17(9-3-8-14)12-6-7-12/h2,4-5,12H,3,6-7,9-10H2,1H3,(H,15,16)
InChIKeyUDECOIURJYWOHZ-UHFFFAOYSA-N
XLogP2.00
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-cyanoethyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904087
6-[[cyclohexyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 79243687
6-[[butyl(cyclopropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 79243992
3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile
CID 64773625
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79260720
N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
CID 79243435
3-(N-[6-(methylamino)-2-pyridinyl]anilino)propanenitrile
CID 80755033
3-[(4-amino-1,3-benzoxazol-2-yl)methyl-cyclopropylamino]propanenitrile
CID 79995197
3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide
CID 62175803
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile
CID 79243775

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile (CID 79243547) is 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile is CNc1cccc(CN(CCC#N)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile?
The InChIKey is UDECOIURJYWOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-15-13-5-2-4-11(16-13)10-17(9-3-8-14)12-6-7-12/h2,4-5,12H,3,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile?
3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile has a molecular weight of 230.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]propanenitrile is sourced from PubChem (CID 79243547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).