2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine

C22H29N7O — CID 155773324

IUPAC2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
SMILES[H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(NCc2cnn(C)c2)c1NC(C)C
InChIInChI=1S/C22H29N7O/c1-6-30-22-17(8-7-9-24-22)18-10-19(25-11-16-12-26-29(5)13-16)21(27-14(2)3)20(28-18)15(4)23/h7-10,12-14,23,27H,6,11H2,1-5H3,(H,25,28)/b23-15+
InChIKeyDYQWQIHQGJJUCO-HZHRSRAPSA-N
MW407.52 g/mol
LogP4.10
Rot. Bonds9

About 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine

2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine (PubChem CID 155773324) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
PubChem CID155773324
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
SMILES[H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(NCc2cnn(C)c2)c1NC(C)C
InChIInChI=1S/C22H29N7O/c1-6-30-22-17(8-7-9-24-22)18-10-19(25-11-16-12-26-29(5)13-16)21(27-14(2)3)20(28-18)15(4)23/h7-10,12-14,23,27H,6,11H2,1-5H3,(H,25,28)/b23-15+
InChIKeyDYQWQIHQGJJUCO-HZHRSRAPSA-N
XLogP4.10
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Ethoxy-6-(trifluoromethyl)pyridin-4-yl)-3-((5-methyl-6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)methyl)urea
CID 137377911
3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
1-(6-Cyano-2-ethoxy-3-methylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
CID 137377731
US10034861, Example 165
CID 132273284
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
1-(2-Chloro-6-ethoxy-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164626769
2-(4-(2-cyclohexylethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11495553
2-{4-[(2-chloroethyl)oxy]phenyl}-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine
CID 11625025
1-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenoxy)propan-2-one
CID 11675099

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
The IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine (CID 155773324) is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
The canonical SMILES for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine is [H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(NCc2cnn(C)c2)c1NC(C)C.
What is the InChIKey of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
The InChIKey is DYQWQIHQGJJUCO-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H29N7O/c1-6-30-22-17(8-7-9-24-22)18-10-19(25-11-16-12-26-29(5)13-16)21(27-14(2)3)20(28-18)15(4)23/h7-10,12-14,23,27H,6,11H2,1-5H3,(H,25,28)/b23-15+.
What are the key properties of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine has a molecular weight of 407.52 g/mol, XLogP of 4.10, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 155773324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).