[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate

C25H26N4O4 — CID 11247830

IUPAC[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cn1)c1ccccc1
InChIInChI=1S/C25H26N4O4/c1-28(22-5-3-2-4-6-22)25(31)33-23-12-11-21(17-26-23)27-24(30)20-9-7-19(8-10-20)18-29-13-15-32-16-14-29/h2-12,17H,13-16,18H2,1H3,(H,27,30)
InChIKeyPAZVFVHCCKARMN-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.80
Rot. Bonds6

About [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate

[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate (PubChem CID 11247830) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
PubChem CID11247830
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)Oc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cn1)c1ccccc1
InChIInChI=1S/C25H26N4O4/c1-28(22-5-3-2-4-6-22)25(31)33-23-12-11-21(17-26-23)27-24(30)20-9-7-19(8-10-20)18-29-13-15-32-16-14-29/h2-12,17H,13-16,18H2,1H3,(H,27,30)
InChIKeyPAZVFVHCCKARMN-UHFFFAOYSA-N
XLogP3.80
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11316000
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 5441748
N-(6-methoxy-3-pyridinyl)-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 47027041
[5-(tert-butylcarbamoylamino)-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11393718
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 9045335
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate (CID 11247830) is [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate is CN(C(=O)Oc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cn1)c1ccccc1.
What is the InChIKey of [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
The InChIKey is PAZVFVHCCKARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-28(22-5-3-2-4-6-22)25(31)33-23-12-11-21(17-26-23)27-24(30)20-9-7-19(8-10-20)18-29-13-15-32-16-14-29/h2-12,17H,13-16,18H2,1H3,(H,27,30).
What are the key properties of [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate?
[5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate has a molecular weight of 446.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2-pyridinyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 11247830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).