N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide

C27H25N3O — CID 46091992

IUPACN-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1
InChIInChI=1S/C27H25N3O/c1-30(18-19-8-3-2-4-9-19)27(31)22-16-14-21(15-17-22)25-24-13-7-11-20-10-5-6-12-23(20)26(24)29-28-25/h2-6,8-10,12,14-17H,7,11,13,18H2,1H3,(H,28,29)
InChIKeySFRFYPADIXSJME-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.50
Rot. Bonds4

About N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide

N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide (PubChem CID 46091992) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide
PubChem CID46091992
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC NameN-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1
InChIInChI=1S/C27H25N3O/c1-30(18-19-8-3-2-4-9-19)27(31)22-16-14-21(15-17-22)25-24-13-7-11-20-10-5-6-12-23(20)26(24)29-28-25/h2-6,8-10,12,14-17H,7,11,13,18H2,1H3,(H,28,29)
InChIKeySFRFYPADIXSJME-UHFFFAOYSA-N
XLogP5.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 92772741
4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 46091982
4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-(2-phenoxyethyl)benzamide
CID 46092004
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
2-[4-[[methyl(pyridine-4-carbonyl)amino]methyl]phenyl]benzoic acid
CID 110097432
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
CID 18415999
1-[4-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methylamino]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 10274252

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide?
The IUPAC name of N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide (CID 46091992) is N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1.
What is the InChIKey of N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide?
The InChIKey is SFRFYPADIXSJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-30(18-19-8-3-2-4-9-19)27(31)22-16-14-21(15-17-22)25-24-13-7-11-20-10-5-6-12-23(20)26(24)29-28-25/h2-6,8-10,12,14-17H,7,11,13,18H2,1H3,(H,28,29).
What are the key properties of N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide?
N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide has a molecular weight of 407.52 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-methylbenzamide is sourced from PubChem (CID 46091992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).