1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H21N5O3 — CID 128997866

IUPAC1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CCC1=O
InChIInChI=1S/C15H21N5O3/c1-19-9-10(8-16-19)14-11(4-3-7-23-14)17-15(22)12-5-6-13(21)20(2)18-12/h8-9,11,14H,3-7H2,1-2H3,(H,17,22)/t11-,14+/m0/s1
InChIKeyNFJCFFGKBNKJRA-SMDDNHRTSA-N
MW319.37 g/mol
LogP0.36
Rot. Bonds3

About 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 128997866) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID128997866
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CCC1=O
InChIInChI=1S/C15H21N5O3/c1-19-9-10(8-16-19)14-11(4-3-7-23-14)17-15(22)12-5-6-13(21)20(2)18-12/h8-9,11,14H,3-7H2,1-2H3,(H,17,22)/t11-,14+/m0/s1
InChIKeyNFJCFFGKBNKJRA-SMDDNHRTSA-N
XLogP0.36
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-methylsulfanylpropanamide
CID 129001184
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 129006133
3-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]-1-morpholin-4-ylbutan-1-one
CID 129007161
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475288
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128972719
4,4-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]cyclohexane-1-carboxamide
CID 128993483
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 128997368
3-(2,2-difluoroethoxy)-N-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]propanamide
CID 132388712
3-fluoropropyl N-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]carbamate
CID 136585392
N-[(2S*,4R*,6S*)-2-ethyl-6-(1-ethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50956018
(2R,3S)-2-(1-Ethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-3-amine dihydrochloride
CID 86811655
(2R,3S)-2-(1-Ethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-3-amine
CID 86811656

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 128997866) is 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)CCC1=O.
What is the InChIKey of 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NFJCFFGKBNKJRA-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-19-9-10(8-16-19)14-11(4-3-7-23-14)17-15(22)12-5-6-13(21)20(2)18-12/h8-9,11,14H,3-7H2,1-2H3,(H,17,22)/t11-,14+/m0/s1.
What are the key properties of 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 128997866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).