N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

C17H19N5O3 — CID 102562775

IUPACN-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC(=O)CC2c2ccccc2)nn1
InChIInChI=1S/C17H19N5O3/c1-25-16-8-7-14(20-21-16)19-17(24)22-10-9-18-15(23)11-13(22)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,18,23)(H,19,20,24)
InChIKeyHKNRSXGIHNOXKI-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.58
Rot. Bonds3

About N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide (PubChem CID 102562775) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
PubChem CID102562775
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC(=O)CC2c2ccccc2)nn1
InChIInChI=1S/C17H19N5O3/c1-25-16-8-7-14(20-21-16)19-17(24)22-10-9-18-15(23)11-13(22)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,18,23)(H,19,20,24)
InChIKeyHKNRSXGIHNOXKI-UHFFFAOYSA-N
XLogP1.58
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide
CID 124622403
(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 99794040
(7R)-N-(2-nitrophenyl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 51961669
5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 136579285
(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 95140593
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide
CID 110200188
methyl 3-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]propanoate
CID 97062578
8-(cyclopropanecarbonyl)-1-(6-methoxypyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 110201844
(7R)-1-[(2S)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195535
(7S)-1-[(2R)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195538
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120623924

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide (CID 102562775) is N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide is COc1ccc(NC(=O)N2CCNC(=O)CC2c2ccccc2)nn1.
What is the InChIKey of N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide?
The InChIKey is HKNRSXGIHNOXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-25-16-8-7-14(20-21-16)19-17(24)22-10-9-18-15(23)11-13(22)12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,18,23)(H,19,20,24).
What are the key properties of N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide?
N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 102562775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).