1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one

C24H29N3O3 — CID 45165290

IUPAC1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one
SMILESO=C(c1ccccn1)N1CC(=O)N(C2CCCCC2)CC(OCc2ccccc2)C1
InChIInChI=1S/C24H29N3O3/c28-23-17-26(24(29)22-13-7-8-14-25-22)15-21(30-18-19-9-3-1-4-10-19)16-27(23)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20-21H,2,5-6,11-12,15-18H2
InChIKeyKDZHDYVSLZXGSB-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.28
Rot. Bonds5

About 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one

1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one (PubChem CID 45165290) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one
PubChem CID45165290
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one
SMILESO=C(c1ccccn1)N1CC(=O)N(C2CCCCC2)CC(OCc2ccccc2)C1
InChIInChI=1S/C24H29N3O3/c28-23-17-26(24(29)22-13-7-8-14-25-22)15-21(30-18-19-9-3-1-4-10-19)16-27(23)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20-21H,2,5-6,11-12,15-18H2
InChIKeyKDZHDYVSLZXGSB-UHFFFAOYSA-N
XLogP3.28
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-isonicotinamide
CID 11729761
Pyridine-2-carboxylic acid benzylcarbamoyl-methyl ester
CID 2351947
benzyl (2S)-2-(isoquinoline-3-carbonylamino)propanoate
CID 53230829
benzyl (2S)-6-amino-2-(isoquinoline-3-carbonylamino)hexanoate
CID 53230950
Benzyl 2-(isoquinoline-3-carbonylamino)acetate
CID 53231052
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] pyridine-2-carboxylate
CID 2640320
[4-(Pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 2394574
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53251568
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(3-(4-fluorobenzyloxy) azetidine-1-carbonyl)picolinamide
CID 66710575
US11401270, Example 27
CID 142566994
[2-Oxo-2-(3-phenylpropylamino)ethyl] pyridine-2-carboxylate
CID 2366016
Pyridine-2-carboxylic acid 2-oxo-2-(4-phenyl-piperazin-1-yl)-ethyl ester
CID 650384

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one (CID 45165290) is 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one is O=C(c1ccccn1)N1CC(=O)N(C2CCCCC2)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one?
The InChIKey is KDZHDYVSLZXGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-23-17-26(24(29)22-13-7-8-14-25-22)15-21(30-18-19-9-3-1-4-10-19)16-27(23)20-11-5-2-6-12-20/h1,3-4,7-10,13-14,20-21H,2,5-6,11-12,15-18H2.
What are the key properties of 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one?
1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-phenylmethoxy-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 45165290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).