6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine

C20H25N7O — CID 146420737

IUPAC6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine
SMILES[H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1NC
InChIInChI=1S/C20H25N7O/c1-5-28-20-15(7-6-8-23-20)16-9-17(19(22-3)18(10-21)26-16)25-13(2)14-11-24-27(4)12-14/h6-13,21-22H,5H2,1-4H3,(H,25,26)/b21-10+
InChIKeyYHCUGGXMFMKHID-UFFVCSGVSA-N
MW379.47 g/mol
LogP3.49
Rot. Bonds8

About 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine

6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine (PubChem CID 146420737) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine
PubChem CID146420737
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine
SMILES[H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1NC
InChIInChI=1S/C20H25N7O/c1-5-28-20-15(7-6-8-23-20)16-9-17(19(22-3)18(10-21)26-16)25-13(2)14-11-24-27(4)12-14/h6-13,21-22H,5H2,1-4H3,(H,25,26)/b21-10+
InChIKeyYHCUGGXMFMKHID-UFFVCSGVSA-N
XLogP3.49
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine?
The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine (CID 146420737) is 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine.
What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine?
The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine is [H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1NC.
What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine?
The InChIKey is YHCUGGXMFMKHID-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H25N7O/c1-5-28-20-15(7-6-8-23-20)16-9-17(19(22-3)18(10-21)26-16)25-13(2)14-11-24-27(4)12-14/h6-13,21-22H,5H2,1-4H3,(H,25,26)/b21-10+.
What are the key properties of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine?
6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine has a molecular weight of 379.47 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-N-methyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-3,4-diamine is sourced from PubChem (CID 146420737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).