4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile

C9H13N3 — CID 166000107

IUPAC4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile
SMILESN#CC1=C(N)CCN(C2CC2)C1
InChIInChI=1S/C9H13N3/c10-5-7-6-12(8-1-2-8)4-3-9(7)11/h8H,1-4,6,11H2
InChIKeyNECQZZVLVPWGKV-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.59
Rot. Bonds1

About 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile

4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile (PubChem CID 166000107) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile
PubChem CID166000107
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile
SMILESN#CC1=C(N)CCN(C2CC2)C1
InChIInChI=1S/C9H13N3/c10-5-7-6-12(8-1-2-8)4-3-9(7)11/h8H,1-4,6,11H2
InChIKeyNECQZZVLVPWGKV-UHFFFAOYSA-N
XLogP0.59
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The IUPAC name of 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile (CID 166000107) is 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The canonical SMILES for 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile is N#CC1=C(N)CCN(C2CC2)C1.
What is the InChIKey of 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The InChIKey is NECQZZVLVPWGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-5-7-6-12(8-1-2-8)4-3-9(7)11/h8H,1-4,6,11H2.
What are the key properties of 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile has a molecular weight of 163.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-3,6-dihydro-2H-pyridine-5-carbonitrile is sourced from PubChem (CID 166000107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).