N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

C14H19N5 — CID 142722384

IUPACN'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCc1ccc(/N=C(N)/N=C(/N)N2CC=CCC2)cc1
InChIInChI=1S/C14H19N5/c1-11-5-7-12(8-6-11)17-13(15)18-14(16)19-9-3-2-4-10-19/h2-3,5-8H,4,9-10H2,1H3,(H4,15,16,17,18)
InChIKeyKTBBQEOHMOAGSC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.52
Rot. Bonds1

About N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 142722384) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID142722384
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCc1ccc(/N=C(N)/N=C(/N)N2CC=CCC2)cc1
InChIInChI=1S/C14H19N5/c1-11-5-7-12(8-6-11)17-13(15)18-14(16)19-9-3-2-4-10-19/h2-3,5-8H,4,9-10H2,1H3,(H4,15,16,17,18)
InChIKeyKTBBQEOHMOAGSC-UHFFFAOYSA-N
XLogP1.52
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 142722384) is N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is Cc1ccc(/N=C(N)/N=C(/N)N2CC=CCC2)cc1.
What is the InChIKey of N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is KTBBQEOHMOAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-5-7-12(8-6-11)17-13(15)18-14(16)19-9-3-2-4-10-19/h2-3,5-8H,4,9-10H2,1H3,(H4,15,16,17,18).
What are the key properties of N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 257.34 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-methylphenyl)carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 142722384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).