(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one

C21H23N3O3 — CID 97065919

IUPAC(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
SMILESO=C1C[C@H](c2ccccc2)N(C(=O)c2ccnc(OC3CCC3)c2)CCN1
InChIInChI=1S/C21H23N3O3/c25-19-14-18(15-5-2-1-3-6-15)24(12-11-22-19)21(26)16-9-10-23-20(13-16)27-17-7-4-8-17/h1-3,5-6,9-10,13,17-18H,4,7-8,11-12,14H2,(H,22,25)/t18-/m1/s1
InChIKeyXUGNYQVHGKOVAO-GOSISDBHSA-N
MW365.43 g/mol
LogP2.72
Rot. Bonds4

About (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one

(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one (PubChem CID 97065919) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
PubChem CID97065919
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
SMILESO=C1C[C@H](c2ccccc2)N(C(=O)c2ccnc(OC3CCC3)c2)CCN1
InChIInChI=1S/C21H23N3O3/c25-19-14-18(15-5-2-1-3-6-15)24(12-11-22-19)21(26)16-9-10-23-20(13-16)27-17-7-4-8-17/h1-3,5-6,9-10,13,17-18H,4,7-8,11-12,14H2,(H,22,25)/t18-/m1/s1
InChIKeyXUGNYQVHGKOVAO-GOSISDBHSA-N
XLogP2.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(oxolan-3-yloxy)-4-pyridinyl]-(3-phenylmorpholin-4-yl)methanone
CID 127840607
(7R)-1-(2-methylpyrimidine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 95144787
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
(7S)-1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)-7-phenyl-1,4-diazepan-5-one
CID 94134262
(7S)-1-[4-[(R)-methylsulfinyl]benzoyl]-7-phenyl-1,4-diazepan-5-one
CID 95141444
8-(cyclopropanecarbonyl)-1-(6-methoxypyridine-3-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 110201844
1-(2-cyclohexyloxypyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126790565
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
2-(2-cyclobutyloxypyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535066
1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528150
(1S,6R,7R)-3-(2-cyclobutyloxypyridine-4-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 167883339
(7S)-1-[3-[(2S)-oxolan-2-yl]propanoyl]-7-phenyl-1,4-diazepan-5-one
CID 95580426

Frequently Asked Questions

What is the IUPAC name of (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
The IUPAC name of (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one (CID 97065919) is (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one.
What is the SMILES notation for (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
The canonical SMILES for (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one is O=C1C[C@H](c2ccccc2)N(C(=O)c2ccnc(OC3CCC3)c2)CCN1.
What is the InChIKey of (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
The InChIKey is XUGNYQVHGKOVAO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-14-18(15-5-2-1-3-6-15)24(12-11-22-19)21(26)16-9-10-23-20(13-16)27-17-7-4-8-17/h1-3,5-6,9-10,13,17-18H,4,7-8,11-12,14H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one?
(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one has a molecular weight of 365.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one is sourced from PubChem (CID 97065919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).