2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile

C15H21N5 — CID 65495870

IUPAC2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCN(c3ccncc3N)CC2)CC1
InChIInChI=1S/C15H21N5/c16-5-4-15(2-3-15)12-19-7-9-20(10-8-19)14-1-6-18-11-13(14)17/h1,6,11H,2-4,7-10,12,17H2
InChIKeyDCNLENFHIDOQEC-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 65495870) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID65495870
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCN(c3ccncc3N)CC2)CC1
InChIInChI=1S/C15H21N5/c16-5-4-15(2-3-15)12-19-7-9-20(10-8-19)14-1-6-18-11-13(14)17/h1,6,11H,2-4,7-10,12,17H2
InChIKeyDCNLENFHIDOQEC-UHFFFAOYSA-N
XLogP1.48
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one
CID 43462485
[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium
CID 147121078
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
4-(2,5-dihydropyrrol-1-yl)pyridin-3-amine
CID 79688892
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine
CID 62127614
4-[4-[2-(trifluoromethylsulfanyl)ethyl]piperazin-1-yl]pyridin-3-amine
CID 116616293
ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
CID 43462466
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-amine;ethane
CID 144642147
2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43462484
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 62959098
4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine
CID 60859911

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile (CID 65495870) is 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile is N#CCC1(CN2CCN(c3ccncc3N)CC2)CC1.
What is the InChIKey of 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is DCNLENFHIDOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c16-5-4-15(2-3-15)12-19-7-9-20(10-8-19)14-1-6-18-11-13(14)17/h1,6,11H,2-4,7-10,12,17H2.
What are the key properties of 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 271.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(3-amino-4-pyridinyl)piperazin-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).