N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide

C21H26N4O3 — CID 109349485

IUPACN-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C21H26N4O3/c1-2-24(15-17-6-4-3-5-7-17)20(26)18-14-19(23-16-22-18)25-10-8-21(9-11-25)27-12-13-28-21/h3-7,14,16H,2,8-13,15H2,1H3
InChIKeyUXGIGKVLCWBYBT-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.48
Rot. Bonds5

About N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide

N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide (PubChem CID 109349485) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
PubChem CID109349485
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C21H26N4O3/c1-2-24(15-17-6-4-3-5-7-17)20(26)18-14-19(23-16-22-18)25-10-8-21(9-11-25)27-12-13-28-21/h3-7,14,16H,2,8-13,15H2,1H3
InChIKeyUXGIGKVLCWBYBT-UHFFFAOYSA-N
XLogP2.48
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109352486
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine
CID 112862686
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351353
N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109349548
N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53171948
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
CID 121018154
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
N-benzyl-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536729
N,N-diethyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342197
N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109353048
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109349515

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide (CID 109349485) is N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(N2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide?
The InChIKey is UXGIGKVLCWBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-24(15-17-6-4-3-5-7-17)20(26)18-14-19(23-16-22-18)25-10-8-21(9-11-25)27-12-13-28-21/h3-7,14,16H,2,8-13,15H2,1H3.
What are the key properties of N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide?
N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109349485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).