1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide

C18H23N3O3 — CID 111471904

IUPAC1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCC(O)c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-2-3-13-21-17(23)10-9-15(20-21)18(24)19-12-11-16(22)14-7-5-4-6-8-14/h4-10,16,22H,2-3,11-13H2,1H3,(H,19,24)
InChIKeyIYOBDUPRZQAQOU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.90
Rot. Bonds8

About 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 111471904) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID111471904
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCC(O)c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-2-3-13-21-17(23)10-9-15(20-21)18(24)19-12-11-16(22)14-7-5-4-6-8-14/h4-10,16,22H,2-3,11-13H2,1H3,(H,19,24)
InChIKeyIYOBDUPRZQAQOU-UHFFFAOYSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide
CID 111441768
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide (CID 111471904) is 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCC(O)c2ccccc2)ccc1=O.
What is the InChIKey of 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is IYOBDUPRZQAQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-3-13-21-17(23)10-9-15(20-21)18(24)19-12-11-16(22)14-7-5-4-6-8-14/h4-10,16,22H,2-3,11-13H2,1H3,(H,19,24).
What are the key properties of 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111471904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).