N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

C21H27N5O2 — CID 177222448

IUPACN-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
SMILESCN(C)C(=O)Nc1ccc(CNC(=O)c2ccc3n2CCNC32CCC2)cc1
InChIInChI=1S/C21H27N5O2/c1-25(2)20(28)24-16-6-4-15(5-7-16)14-22-19(27)17-8-9-18-21(10-3-11-21)23-12-13-26(17)18/h4-9,23H,3,10-14H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyBUDWUZNDKZPJNF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.49
Rot. Bonds4

About N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (PubChem CID 177222448) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
PubChem CID177222448
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
SMILESCN(C)C(=O)Nc1ccc(CNC(=O)c2ccc3n2CCNC32CCC2)cc1
InChIInChI=1S/C21H27N5O2/c1-25(2)20(28)24-16-6-4-15(5-7-16)14-22-19(27)17-8-9-18-21(10-3-11-21)23-12-13-26(17)18/h4-9,23H,3,10-14H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyBUDWUZNDKZPJNF-UHFFFAOYSA-N
XLogP2.49
TPSA78.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222375
N-[[4-(bicyclo[1.1.1]pentane-1-carbonylamino)phenyl]methyl]-2-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222312
2-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-[[4-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222628
N-[(4-acetamidophenyl)methyl]-2-[(4-pyrazol-1-ylphenyl)methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222250
N-[[4-[(3-cyanoazetidine-1-carbonyl)amino]phenyl]methyl]-2-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222536
N-[4-[[[2-[[4-(dimethylcarbamoyl)phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carbonyl]amino]methyl]phenyl]-2-oxa-7-azaspiro[3.5]nonane-7-carboxamide
CID 177222654
N-[(4-acetamidophenyl)methyl]-2-[[4-(azetidine-1-carbonyl)phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222422
2-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-[[4-[(5-methyl-1-piperidin-4-ylpyrazole-4-carbonyl)amino]phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222212
1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
CID 120655377
2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
2-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-[[4-[3-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylbenzoyl]piperazin-1-yl]propanoylamino]phenyl]methyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 177222440

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (CID 177222448) is N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc3n2CCNC32CCC2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The InChIKey is BUDWUZNDKZPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(2)20(28)24-16-6-4-15(5-7-16)14-22-19(27)17-8-9-18-21(10-3-11-21)23-12-13-26(17)18/h4-9,23H,3,10-14H2,1-2H3,(H,22,27)(H,24,28).
What are the key properties of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoylamino)phenyl]methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is sourced from PubChem (CID 177222448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).