N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide

C20H22N4O — CID 20919323

IUPACN-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCC(NC(=O)c1cnn2c3c(cnc12)CCCCC3)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-14(15-8-4-2-5-9-15)23-20(25)17-13-22-24-18-11-7-3-6-10-16(18)12-21-19(17)24/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,23,25)
InChIKeyUOLDYXVTMBUQMJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.49
Rot. Bonds3

About N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide

N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide (PubChem CID 20919323) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
PubChem CID20919323
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
SMILESCC(NC(=O)c1cnn2c3c(cnc12)CCCCC3)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-14(15-8-4-2-5-9-15)23-20(25)17-13-22-24-18-11-7-3-6-10-16(18)12-21-19(17)24/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,23,25)
InChIKeyUOLDYXVTMBUQMJ-UHFFFAOYSA-N
XLogP3.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919360
N-(3-chloro-2-methylphenyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919318
N-[(2-chlorophenyl)methyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20886299
N-(2,5-dimethylphenyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919319
5-phenyl-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene
CID 57327899
N-(thiophen-2-ylmethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919339
4-(cyclohexylamino)-1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247480
7-methyl-N-propan-2-yl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919261
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
7-methyl-N-(2-phenylpropyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919274
N-[(2,3-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919240
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
The IUPAC name of N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide (CID 20919323) is N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide is CC(NC(=O)c1cnn2c3c(cnc12)CCCCC3)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
The InChIKey is UOLDYXVTMBUQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(15-8-4-2-5-9-15)23-20(25)17-13-22-24-18-11-7-3-6-10-16(18)12-21-19(17)24/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,23,25).
What are the key properties of N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide?
N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 20919323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).