N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide

C19H23N5O — CID 172904307

IUPACN-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C3CC2CN(c2ccnc(C)n2)C3)cc1
InChIInChI=1S/C19H23N5O/c1-13-3-5-15(6-4-13)22-19(25)12-24-16-9-17(24)11-23(10-16)18-7-8-20-14(2)21-18/h3-8,16-17H,9-12H2,1-2H3,(H,22,25)
InChIKeyFGCSBRPMFNSWFR-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.00
Rot. Bonds4

About N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide

N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide (PubChem CID 172904307) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
PubChem CID172904307
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C3CC2CN(c2ccnc(C)n2)C3)cc1
InChIInChI=1S/C19H23N5O/c1-13-3-5-15(6-4-13)22-19(25)12-24-16-9-17(24)11-23(10-16)18-7-8-20-14(2)21-18/h3-8,16-17H,9-12H2,1-2H3,(H,22,25)
InChIKeyFGCSBRPMFNSWFR-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 175651446
2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 172904075
N-(3,4-difluorophenyl)-2-[3-(2-methylsulfanylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 171999450
(4-methylphenyl)-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 172882737
N-(1,3-benzodioxol-5-yl)-2-[3-(2-methylsulfanylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 171999805
2-[3-(5,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 172892830
N-(2-ethoxyphenyl)-3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
CID 172906115
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
6-[(3-fluoro-2-pyridinyl)methyl]-3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 175649716
5-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]pyrazolo[1,5-a]pyrimidine
CID 172903864
1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230640
N-(4-bromophenyl)-2-[3-(5-chloro-1-methyl-6-oxopyridazin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 172905251

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide (CID 172904307) is N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide is Cc1ccc(NC(=O)CN2C3CC2CN(c2ccnc(C)n2)C3)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide?
The InChIKey is FGCSBRPMFNSWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-3-5-15(6-4-13)22-19(25)12-24-16-9-17(24)11-23(10-16)18-7-8-20-14(2)21-18/h3-8,16-17H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide?
N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide has a molecular weight of 337.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide is sourced from PubChem (CID 172904307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).