2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide

C13H21ClN4O2 — CID 114441510

IUPAC2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCCCn1ncc(NC(C)C(=O)NC(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-5-6-18-13(20)11(14)10(7-15-18)17-9(4)12(19)16-8(2)3/h7-9,17H,5-6H2,1-4H3,(H,16,19)
InChIKeyLDPVTBHIAGNTIL-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.63
Rot. Bonds6

About 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide

2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 114441510) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID114441510
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCCCn1ncc(NC(C)C(=O)NC(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-5-6-18-13(20)11(14)10(7-15-18)17-9(4)12(19)16-8(2)3/h7-9,17H,5-6H2,1-4H3,(H,16,19)
InChIKeyLDPVTBHIAGNTIL-UHFFFAOYSA-N
XLogP1.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114441571
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114435760
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide (CID 114441510) is 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide is CCCn1ncc(NC(C)C(=O)NC(C)C)c(Cl)c1=O.
What is the InChIKey of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is LDPVTBHIAGNTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-5-6-18-13(20)11(14)10(7-15-18)17-9(4)12(19)16-8(2)3/h7-9,17H,5-6H2,1-4H3,(H,16,19).
What are the key properties of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 300.79 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114441510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).