N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H20N4O3 — CID 30531255

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H20N4O3/c22-16-7-6-15(19-20-16)17(23)18-10-14-12-21(8-9-24-14)11-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,18,23)(H,20,22)/t14-/m0/s1
InChIKeyQONTYPDZTPYVNG-AWEZNQCLSA-N
MW328.37 g/mol
LogP0.40
Rot. Bonds5

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30531255) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30531255
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H20N4O3/c22-16-7-6-15(19-20-16)17(23)18-10-14-12-21(8-9-24-14)11-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,18,23)(H,20,22)/t14-/m0/s1
InChIKeyQONTYPDZTPYVNG-AWEZNQCLSA-N
XLogP0.40
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639786
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30531255) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QONTYPDZTPYVNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16-7-6-15(19-20-16)17(23)18-10-14-12-21(8-9-24-14)11-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,18,23)(H,20,22)/t14-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30531255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).