N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide

C15H18N6O2 — CID 71870931

IUPACN,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide
SMILESCn1nc2c(cc1=O)CN(CCC(=O)N(CC#N)CC#N)CC2
InChIInChI=1S/C15H18N6O2/c1-19-15(23)10-12-11-20(6-2-13(12)18-19)7-3-14(22)21(8-4-16)9-5-17/h10H,2-3,6-9,11H2,1H3
InChIKeyNSELAVVVQJDIEH-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.60
Rot. Bonds5

About N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide

N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide (PubChem CID 71870931) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide
PubChem CID71870931
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide
SMILESCn1nc2c(cc1=O)CN(CCC(=O)N(CC#N)CC#N)CC2
InChIInChI=1S/C15H18N6O2/c1-19-15(23)10-12-11-20(6-2-13(12)18-19)7-3-14(22)21(8-4-16)9-5-17/h10H,2-3,6-9,11H2,1H3
InChIKeyNSELAVVVQJDIEH-UHFFFAOYSA-N
XLogP-0.60
TPSA106.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
The IUPAC name of N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide (CID 71870931) is N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
The canonical SMILES for N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide is Cn1nc2c(cc1=O)CN(CCC(=O)N(CC#N)CC#N)CC2.
What is the InChIKey of N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
The InChIKey is NSELAVVVQJDIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-19-15(23)10-12-11-20(6-2-13(12)18-19)7-3-14(22)21(8-4-16)9-5-17/h10H,2-3,6-9,11H2,1H3.
What are the key properties of N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide has a molecular weight of 314.35 g/mol, XLogP of -0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-3-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide is sourced from PubChem (CID 71870931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).