6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine

C18H23N5O2 — CID 88584214

IUPAC6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
SMILESCO/N=C(\C)c1cccc(CCCO/N=C(\C)c2cccc(N)n2)n1
InChIInChI=1S/C18H23N5O2/c1-13(22-24-3)16-9-4-7-15(20-16)8-6-12-25-23-14(2)17-10-5-11-18(19)21-17/h4-5,7,9-11H,6,8,12H2,1-3H3,(H2,19,21)/b22-13+,23-14+
InChIKeySMJMSEPZKHHXDL-MSKUYSOUSA-N
MW341.42 g/mol
LogP2.80
Rot. Bonds8

About 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine

6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine (PubChem CID 88584214) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
PubChem CID88584214
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
SMILESCO/N=C(\C)c1cccc(CCCO/N=C(\C)c2cccc(N)n2)n1
InChIInChI=1S/C18H23N5O2/c1-13(22-24-3)16-9-4-7-15(20-16)8-6-12-25-23-14(2)17-10-5-11-18(19)21-17/h4-5,7,9-11H,6,8,12H2,1-3H3,(H2,19,21)/b22-13+,23-14+
InChIKeySMJMSEPZKHHXDL-MSKUYSOUSA-N
XLogP2.80
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine?
The IUPAC name of 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine (CID 88584214) is 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine.
What is the SMILES notation for 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine?
The canonical SMILES for 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine is CO/N=C(\C)c1cccc(CCCO/N=C(\C)c2cccc(N)n2)n1.
What is the InChIKey of 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine?
The InChIKey is SMJMSEPZKHHXDL-MSKUYSOUSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(22-24-3)16-9-4-7-15(20-16)8-6-12-25-23-14(2)17-10-5-11-18(19)21-17/h4-5,7,9-11H,6,8,12H2,1-3H3,(H2,19,21)/b22-13+,23-14+.
What are the key properties of 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine?
6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine is sourced from PubChem (CID 88584214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).