N'-methyl-3,4-dihydropyridine-2-carboximidamide

C7H11N3 — CID 142289107

IUPACN'-methyl-3,4-dihydropyridine-2-carboximidamide
SMILESC/N=C(\N)C1=NC=CCC1
InChIInChI=1S/C7H11N3/c1-9-7(8)6-4-2-3-5-10-6/h3,5H,2,4H2,1H3,(H2,8,9)
InChIKeySOVWOEYJBQEVQT-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.72
Rot. Bonds1

About N'-methyl-3,4-dihydropyridine-2-carboximidamide

N'-methyl-3,4-dihydropyridine-2-carboximidamide (PubChem CID 142289107) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N'-methyl-3,4-dihydropyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3,4-dihydropyridine-2-carboximidamide
PubChem CID142289107
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN'-methyl-3,4-dihydropyridine-2-carboximidamide
SMILESC/N=C(\N)C1=NC=CCC1
InChIInChI=1S/C7H11N3/c1-9-7(8)6-4-2-3-5-10-6/h3,5H,2,4H2,1H3,(H2,8,9)
InChIKeySOVWOEYJBQEVQT-UHFFFAOYSA-N
XLogP0.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-3,4-dihydropyridine-2-carboximidamide?
The IUPAC name of N'-methyl-3,4-dihydropyridine-2-carboximidamide (CID 142289107) is N'-methyl-3,4-dihydropyridine-2-carboximidamide.
What is the SMILES notation for N'-methyl-3,4-dihydropyridine-2-carboximidamide?
The canonical SMILES for N'-methyl-3,4-dihydropyridine-2-carboximidamide is C/N=C(\N)C1=NC=CCC1.
What is the InChIKey of N'-methyl-3,4-dihydropyridine-2-carboximidamide?
The InChIKey is SOVWOEYJBQEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-9-7(8)6-4-2-3-5-10-6/h3,5H,2,4H2,1H3,(H2,8,9).
What are the key properties of N'-methyl-3,4-dihydropyridine-2-carboximidamide?
N'-methyl-3,4-dihydropyridine-2-carboximidamide has a molecular weight of 137.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3,4-dihydropyridine-2-carboximidamide is sourced from PubChem (CID 142289107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).