N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C14H23N3O3 — CID 62521741

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CC)(CC)CO)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-9-17-12(19)8-7-11(16-17)13(20)15-14(5-2,6-3)10-18/h7-8,18H,4-6,9-10H2,1-3H3,(H,15,20)
InChIKeyASWWJBRCELNASC-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.93
Rot. Bonds7

About N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 62521741) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID62521741
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CC)(CC)CO)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-9-17-12(19)8-7-11(16-17)13(20)15-14(5-2,6-3)10-18/h7-8,18H,4-6,9-10H2,1-3H3,(H,15,20)
InChIKeyASWWJBRCELNASC-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43618915
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 110001003
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789283
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103945933

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 62521741) is N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC(CC)(CC)CO)ccc1=O.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ASWWJBRCELNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-9-17-12(19)8-7-11(16-17)13(20)15-14(5-2,6-3)10-18/h7-8,18H,4-6,9-10H2,1-3H3,(H,15,20).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 62521741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).