2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide

C19H30N6O2 — CID 170077972

IUPAC2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
SMILESC/N=C/c1c(N)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O
InChIInChI=1S/C19H30N6O2/c1-12(2)18-17(20)15(9-21-3)19(27)25(23-18)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14H,4-8,10-11,20H2,1-3H3,(H,22,26)/b21-9+
InChIKeyGLBZCNLKCQJMJB-ZVBGSRNCSA-N
MW374.49 g/mol
LogP0.74
Rot. Bonds6

About 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide

2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide (PubChem CID 170077972) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
PubChem CID170077972
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
SMILESC/N=C/c1c(N)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O
InChIInChI=1S/C19H30N6O2/c1-12(2)18-17(20)15(9-21-3)19(27)25(23-18)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14H,4-8,10-11,20H2,1-3H3,(H,22,26)/b21-9+
InChIKeyGLBZCNLKCQJMJB-ZVBGSRNCSA-N
XLogP0.74
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.74
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 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide (CID 170077972) is 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide is C/N=C/c1c(N)c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c1=O.
What is the InChIKey of 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
The InChIKey is GLBZCNLKCQJMJB-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-12(2)18-17(20)15(9-21-3)19(27)25(23-18)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14H,4-8,10-11,20H2,1-3H3,(H,22,26)/b21-9+.
What are the key properties of 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide is sourced from PubChem (CID 170077972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).