N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C11H15N3O2 — CID 30797600

IUPACN-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(=O)n(C)n1)C1CC1
InChIInChI=1S/C11H15N3O2/c1-7(8-3-4-8)12-11(16)9-5-6-10(15)14(2)13-9/h5-8H,3-4H2,1-2H3,(H,12,16)/t7-/m0/s1
InChIKeyDWPLWGDDWADWFE-ZETCQYMHSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds3

About N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 30797600) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID30797600
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(=O)n(C)n1)C1CC1
InChIInChI=1S/C11H15N3O2/c1-7(8-3-4-8)12-11(16)9-5-6-10(15)14(2)13-9/h5-8H,3-4H2,1-2H3,(H,12,16)/t7-/m0/s1
InChIKeyDWPLWGDDWADWFE-ZETCQYMHSA-N
XLogP0.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 2574206
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
N-[(2S)-3-methylbutan-2-yl]-6-oxo-N-prop-2-enyl-1H-pyridazine-3-carboxamide
CID 40151649
N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
(2S)-2-[[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]amino]propanamide
CID 129531435
2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 122246444
(2R)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530568
(2S)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530569
N-[(1R,2R)-2-fluorocyclopentyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 137947143
1-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-6-oxopyridazine-3-carboxamide
CID 137981273

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 30797600) is N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide is C[C@H](NC(=O)c1ccc(=O)n(C)n1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is DWPLWGDDWADWFE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(8-3-4-8)12-11(16)9-5-6-10(15)14(2)13-9/h5-8H,3-4H2,1-2H3,(H,12,16)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30797600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).