3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide

C14H21ClN4O2 — CID 106278225

IUPAC3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H21ClN4O2/c1-14(2,13(21)16-3)8-17-11-10(15)6-18-19(12(11)20)7-9-4-5-9/h6,9,17H,4-5,7-8H2,1-3H3,(H,16,21)
InChIKeyFHXOXYKVVYSCGT-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.49
Rot. Bonds6

About 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide

3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106278225) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide
PubChem CID106278225
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C14H21ClN4O2/c1-14(2,13(21)16-3)8-17-11-10(15)6-18-19(12(11)20)7-9-4-5-9/h6,9,17H,4-5,7-8H2,1-3H3,(H,16,21)
InChIKeyFHXOXYKVVYSCGT-UHFFFAOYSA-N
XLogP1.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide with MolForge

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114435337
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 106248232
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-2-hydroxypropanamide
CID 106177775
5-chloro-2-(cyclopropylmethyl)-4-[(3-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107413990
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446799

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide (CID 106278225) is 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is FHXOXYKVVYSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-14(2,13(21)16-3)8-17-11-10(15)6-18-19(12(11)20)7-9-4-5-9/h6,9,17H,4-5,7-8H2,1-3H3,(H,16,21).
What are the key properties of 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide?
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 312.80 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).