N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C17H28N4O3 — CID 39484269

IUPACN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1=O
InChIInChI=1S/C17H28N4O3/c1-4-7-21-16(22)6-5-15(19-21)17(23)18-10-14-12-20(8-9-24-14)11-13(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyRUEILBLPTQRLSU-CQSZACIVSA-N
MW336.44 g/mol
LogP0.74
Rot. Bonds7

About N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 39484269) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID39484269
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1=O
InChIInChI=1S/C17H28N4O3/c1-4-7-21-16(22)6-5-15(19-21)17(23)18-10-14-12-20(8-9-24-14)11-13(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,23)/t14-/m1/s1
InChIKeyRUEILBLPTQRLSU-CQSZACIVSA-N
XLogP0.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 66179142
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 8511153
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 39484269) is N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1=O.
What is the InChIKey of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is RUEILBLPTQRLSU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-7-21-16(22)6-5-15(19-21)17(23)18-10-14-12-20(8-9-24-14)11-13(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,23)/t14-/m1/s1.
What are the key properties of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 39484269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).