2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide

C18H23N7O — CID 146420536

IUPAC2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide
SMILES[H]/N=C(\C)c1cc(NC/C(N)=N/C=N/C)cc(-c2cccnc2OCC)n1
InChIInChI=1S/C18H23N7O/c1-4-26-18-14(6-5-7-22-18)16-9-13(8-15(25-16)12(2)19)23-10-17(20)24-11-21-3/h5-9,11,19H,4,10H2,1-3H3,(H,23,25)(H2,20,21,24)/b19-12+
InChIKeyLSDGKERVHGKBOZ-XDHOZWIPSA-N
MW353.43 g/mol
LogP2.36
Rot. Bonds8

About 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide

2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide (PubChem CID 146420536) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide.

Molecular Properties

Compound Name2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide
PubChem CID146420536
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide
SMILES[H]/N=C(\C)c1cc(NC/C(N)=N/C=N/C)cc(-c2cccnc2OCC)n1
InChIInChI=1S/C18H23N7O/c1-4-26-18-14(6-5-7-22-18)16-9-13(8-15(25-16)12(2)19)23-10-17(20)24-11-21-3/h5-9,11,19H,4,10H2,1-3H3,(H,23,25)(H2,20,21,24)/b19-12+
InChIKeyLSDGKERVHGKBOZ-XDHOZWIPSA-N
XLogP2.36
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide?
The IUPAC name of 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide (CID 146420536) is 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide.
What is the SMILES notation for 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide?
The canonical SMILES for 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide is [H]/N=C(\C)c1cc(NC/C(N)=N/C=N/C)cc(-c2cccnc2OCC)n1.
What is the InChIKey of 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide?
The InChIKey is LSDGKERVHGKBOZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H23N7O/c1-4-26-18-14(6-5-7-22-18)16-9-13(8-15(25-16)12(2)19)23-10-17(20)24-11-21-3/h5-9,11,19H,4,10H2,1-3H3,(H,23,25)(H2,20,21,24)/b19-12+.
What are the key properties of 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide?
2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide has a molecular weight of 353.43 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide is sourced from PubChem (CID 146420536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).