6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine

C20H24N6O — CID 146420736

IUPAC6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine
SMILES[H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1C
InChIInChI=1S/C20H24N6O/c1-5-27-20-16(7-6-8-22-20)18-9-17(13(2)19(10-21)25-18)24-14(3)15-11-23-26(4)12-15/h6-12,14,21H,5H2,1-4H3,(H,24,25)/b21-10+
InChIKeyYMDYMRSEWSKFLU-UFFVCSGVSA-N
MW364.45 g/mol
LogP3.75
Rot. Bonds7

About 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine

6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine (PubChem CID 146420736) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine
PubChem CID146420736
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine
SMILES[H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1C
InChIInChI=1S/C20H24N6O/c1-5-27-20-16(7-6-8-22-20)18-9-17(13(2)19(10-21)25-18)24-14(3)15-11-23-26(4)12-15/h6-12,14,21H,5H2,1-4H3,(H,24,25)/b21-10+
InChIKeyYMDYMRSEWSKFLU-UFFVCSGVSA-N
XLogP3.75
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine (CID 146420736) is 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine is [H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1C.
What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
The InChIKey is YMDYMRSEWSKFLU-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H24N6O/c1-5-27-20-16(7-6-8-22-20)18-9-17(13(2)19(10-21)25-18)24-14(3)15-11-23-26(4)12-15/h6-12,14,21H,5H2,1-4H3,(H,24,25)/b21-10+.
What are the key properties of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 146420736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).