1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C16H26N4O4 — CID 94021718

IUPAC1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)CCC1=O
InChIInChI=1S/C16H26N4O4/c1-19-15(21)3-2-13(18-19)16(22)17-10-14(12-4-7-24-11-12)20-5-8-23-9-6-20/h12,14H,2-11H2,1H3,(H,17,22)/t12-,14-/m1/s1
InChIKeyFOCVUSUMFISREE-TZMCWYRMSA-N
MW338.41 g/mol
LogP-0.55
Rot. Bonds5

About 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 94021718) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID94021718
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)CCC1=O
InChIInChI=1S/C16H26N4O4/c1-19-15(21)3-2-13(18-19)16(22)17-10-14(12-4-7-24-11-12)20-5-8-23-9-6-20/h12,14H,2-11H2,1H3,(H,17,22)/t12-,14-/m1/s1
InChIKeyFOCVUSUMFISREE-TZMCWYRMSA-N
XLogP-0.55
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
1,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021725
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021723
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]quinoline-2-carboxamide
CID 94083483
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 55641931
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 94021718) is 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)CCC1=O.
What is the InChIKey of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FOCVUSUMFISREE-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-19-15(21)3-2-13(18-19)16(22)17-10-14(12-4-7-24-11-12)20-5-8-23-9-6-20/h12,14H,2-11H2,1H3,(H,17,22)/t12-,14-/m1/s1.
What are the key properties of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 94021718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).