(Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide

C9H14N4 — CID 137301510

IUPAC(Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\NC1=CNC(C)C=C1
InChIInChI=1S/C9H14N4/c1-7-2-3-8(6-13-7)12-5-4-9(10)11/h2-7,12-13H,1H3,(H3,10,11)/b5-4-
InChIKeySAESYQPEGDNEHE-PLNGDYQASA-N
MW178.24 g/mol
LogP0.41
Rot. Bonds3

About (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide

(Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide (PubChem CID 137301510) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide
PubChem CID137301510
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\NC1=CNC(C)C=C1
InChIInChI=1S/C9H14N4/c1-7-2-3-8(6-13-7)12-5-4-9(10)11/h2-7,12-13H,1H3,(H3,10,11)/b5-4-
InChIKeySAESYQPEGDNEHE-PLNGDYQASA-N
XLogP0.41
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide?
The IUPAC name of (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide (CID 137301510) is (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide?
The canonical SMILES for (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide is [H]/N=C(N)/C=C\NC1=CNC(C)C=C1.
What is the InChIKey of (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide?
The InChIKey is SAESYQPEGDNEHE-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14N4/c1-7-2-3-8(6-13-7)12-5-4-9(10)11/h2-7,12-13H,1H3,(H3,10,11)/b5-4-.
What are the key properties of (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide?
(Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide has a molecular weight of 178.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2-methyl-1,2-dihydropyridin-5-yl)amino]prop-2-enimidamide is sourced from PubChem (CID 137301510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).