N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide

C16H24N4O2 — CID 138807911

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC3CCN2CC3)c(=O)n1
InChIInChI=1S/C16H24N4O2/c1-11-9-12(2)20(16(22)18-11)8-5-17-15(21)14-10-13-3-6-19(14)7-4-13/h9,13-14H,3-8,10H2,1-2H3,(H,17,21)
InChIKeyIFFITFJJFJNQNU-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide (PubChem CID 138807911) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
PubChem CID138807911
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC3CCN2CC3)c(=O)n1
InChIInChI=1S/C16H24N4O2/c1-11-9-12(2)20(16(22)18-11)8-5-17-15(21)14-10-13-3-6-19(14)7-4-13/h9,13-14H,3-8,10H2,1-2H3,(H,17,21)
InChIKeyIFFITFJJFJNQNU-UHFFFAOYSA-N
XLogP0.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124754580
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46995964
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide
CID 119072623
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887087
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 122564752
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72933578
3-[(4-chlorophenyl)methyl]-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]azetidine-3-carboxamide
CID 166619197
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 131942685
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72863634
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-[2-(piperidin-1-ylmethyl)phenyl]urea
CID 72892403

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide (CID 138807911) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide is Cc1cc(C)n(CCNC(=O)C2CC3CCN2CC3)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
The InChIKey is IFFITFJJFJNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-9-12(2)20(16(22)18-11)8-5-17-15(21)14-10-13-3-6-19(14)7-4-13/h9,13-14H,3-8,10H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide is sourced from PubChem (CID 138807911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).