N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide

C12H12N4O2 — CID 170372579

IUPACN-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide
SMILESC=C1NC(=O)C2(NC(=O)c3ccncn3)CC1C2
InChIInChI=1S/C12H12N4O2/c1-7-8-4-12(5-8,11(18)15-7)16-10(17)9-2-3-13-6-14-9/h2-3,6,8H,1,4-5H2,(H,15,18)(H,16,17)
InChIKeyRTEDUXRYHFMNGX-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.00
Rot. Bonds2

About N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide

N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide (PubChem CID 170372579) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide
PubChem CID170372579
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide
SMILESC=C1NC(=O)C2(NC(=O)c3ccncn3)CC1C2
InChIInChI=1S/C12H12N4O2/c1-7-8-4-12(5-8,11(18)15-7)16-10(17)9-2-3-13-6-14-9/h2-3,6,8H,1,4-5H2,(H,15,18)(H,16,17)
InChIKeyRTEDUXRYHFMNGX-UHFFFAOYSA-N
XLogP-0.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylazetidin-3-yl)pyrimidine-4-carboxamide
CID 131196705
N-(2-fluorocyclopentyl)pyrimidine-4-carboxamide
CID 126856421
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide
CID 110125140
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide
CID 169248580
N-(2-oxopropyl)pyrimidine-4-carboxamide
CID 89020208
N-propylpyrimidine-4-carboxamide
CID 89156251
N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-1,3-oxazole-4-sulfonamide
CID 170372596
2-methyl-1-pyrimidin-4-ylprop-2-en-1-one
CID 79189821
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70498117
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
N-(2,2-difluorobutyl)pyrimidine-4-carboxamide
CID 90125008

Frequently Asked Questions

What is the IUPAC name of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide (CID 170372579) is N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide is C=C1NC(=O)C2(NC(=O)c3ccncn3)CC1C2.
What is the InChIKey of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide?
The InChIKey is RTEDUXRYHFMNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-8-4-12(5-8,11(18)15-7)16-10(17)9-2-3-13-6-14-9/h2-3,6,8H,1,4-5H2,(H,15,18)(H,16,17).
What are the key properties of N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide?
N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidene-2-oxo-3-azabicyclo[3.1.1]heptan-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170372579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).