N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide

C10H14N4O3 — CID 114152443

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)C(N)=O)c(C)nn1
InChIInChI=1S/C10H14N4O3/c1-5-3-7(6(2)14-13-5)10(17)12-4-8(15)9(11)16/h3,8,15H,4H2,1-2H3,(H2,11,16)(H,12,17)
InChIKeyKSEMUSRZLWGDEI-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.33
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 114152443) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID114152443
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)C(N)=O)c(C)nn1
InChIInChI=1S/C10H14N4O3/c1-5-3-7(6(2)14-13-5)10(17)12-4-8(15)9(11)16/h3,8,15H,4H2,1-2H3,(H2,11,16)(H,12,17)
InChIKeyKSEMUSRZLWGDEI-UHFFFAOYSA-N
XLogP-1.33
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671449
N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107158781
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 113439190
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 106164845
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473920
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671942
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 112548491
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
CID 106165114

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide (CID 114152443) is N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCC(O)C(N)=O)c(C)nn1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is KSEMUSRZLWGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-5-3-7(6(2)14-13-5)10(17)12-4-8(15)9(11)16/h3,8,15H,4H2,1-2H3,(H2,11,16)(H,12,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 114152443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).