6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide

C19H25N9O2 — CID 134250475

IUPAC6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESC=NN(/C=C(\C)CN)c1cccc(C(=O)Nc2cn(C)nc2N2CCN(C)C2=O)n1
InChIInChI=1S/C19H25N9O2/c1-13(10-20)11-28(21-2)16-7-5-6-14(22-16)18(29)23-15-12-26(4)24-17(15)27-9-8-25(3)19(27)30/h5-7,11-12H,2,8-10,20H2,1,3-4H3,(H,23,29)/b13-11+
InChIKeyOOKCKBWOBJXSCI-ACCUITESSA-N
MW411.47 g/mol
LogP1.22
Rot. Bonds7

About 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide

6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 134250475) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID134250475
Molecular FormulaC19H25N9O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESC=NN(/C=C(\C)CN)c1cccc(C(=O)Nc2cn(C)nc2N2CCN(C)C2=O)n1
InChIInChI=1S/C19H25N9O2/c1-13(10-20)11-28(21-2)16-7-5-6-14(22-16)18(29)23-15-12-26(4)24-17(15)27-9-8-25(3)19(27)30/h5-7,11-12H,2,8-10,20H2,1,3-4H3,(H,23,29)/b13-11+
InChIKeyOOKCKBWOBJXSCI-ACCUITESSA-N
XLogP1.22
TPSA124.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide (CID 134250475) is 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide is C=NN(/C=C(\C)CN)c1cccc(C(=O)Nc2cn(C)nc2N2CCN(C)C2=O)n1.
What is the InChIKey of 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is OOKCKBWOBJXSCI-ACCUITESSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-13(10-20)11-28(21-2)16-7-5-6-14(22-16)18(29)23-15-12-26(4)24-17(15)27-9-8-25(3)19(27)30/h5-7,11-12H,2,8-10,20H2,1,3-4H3,(H,23,29)/b13-11+.
What are the key properties of 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide?
6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-3-amino-2-methylprop-1-enyl]-(methylideneamino)amino]-N-[1-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134250475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).