2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine

C19H25N7O — CID 142604697

IUPAC2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
SMILES[H]/N=C(\C)c1nc(-c2ocnc2C)cc(NCc2cnn(C)c2)c1NC(C)C
InChIInChI=1S/C19H25N7O/c1-11(2)24-18-15(21-7-14-8-23-26(5)9-14)6-16(25-17(18)12(3)20)19-13(4)22-10-27-19/h6,8-11,20,24H,7H2,1-5H3,(H,21,25)/b20-12+
InChIKeyXMOOPODSZDZYSF-UDWIEESQSA-N
MW367.46 g/mol
LogP3.60
Rot. Bonds7

About 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine

2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine (PubChem CID 142604697) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
PubChem CID142604697
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
SMILES[H]/N=C(\C)c1nc(-c2ocnc2C)cc(NCc2cnn(C)c2)c1NC(C)C
InChIInChI=1S/C19H25N7O/c1-11(2)24-18-15(21-7-14-8-23-26(5)9-14)6-16(25-17(18)12(3)20)19-13(4)22-10-27-19/h6,8-11,20,24H,7H2,1-5H3,(H,21,25)/b20-12+
InChIKeyXMOOPODSZDZYSF-UDWIEESQSA-N
XLogP3.60
TPSA104.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.60
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 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
The IUPAC name of 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine (CID 142604697) is 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
The canonical SMILES for 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine is [H]/N=C(\C)c1nc(-c2ocnc2C)cc(NCc2cnn(C)c2)c1NC(C)C.
What is the InChIKey of 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
The InChIKey is XMOOPODSZDZYSF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H25N7O/c1-11(2)24-18-15(21-7-14-8-23-26(5)9-14)6-16(25-17(18)12(3)20)19-13(4)22-10-27-19/h6,8-11,20,24H,7H2,1-5H3,(H,21,25)/b20-12+.
What are the key properties of 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine?
2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine has a molecular weight of 367.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 142604697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).