N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C12H19N3O3 — CID 34832168

IUPACN-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)COC)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-4-7-15-11(16)6-5-10(14-15)12(17)13-9(2)8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyPABRGIMOLRFMCF-VIFPVBQESA-N
MW253.30 g/mol
LogP0.42
Rot. Bonds6

About N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 34832168) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID34832168
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)COC)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-4-7-15-11(16)6-5-10(14-15)12(17)13-9(2)8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyPABRGIMOLRFMCF-VIFPVBQESA-N
XLogP0.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Methoxyethyl)-6-(3-methylmorpholine-4-carbonyl)pyridazin-3-one
CID 45814766
N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47079519
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
CID 136537663
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103082670
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317
N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103770479

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 34832168) is N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N[C@@H](C)COC)ccc1=O.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is PABRGIMOLRFMCF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-7-15-11(16)6-5-10(14-15)12(17)13-9(2)8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 34832168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).