6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide

C27H35N7O2 — CID 71000254

IUPAC6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
SMILESCN[C@@H](C)CC1(c2nnn(C)n2)c2ccc(C(=O)N(C)C)cc2CCc2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C27H35N7O2/c1-17(28-2)16-27(26-29-31-34(7)30-26)22-12-10-20(24(35)32(3)4)14-18(22)8-9-19-15-21(11-13-23(19)27)25(36)33(5)6/h10-15,17,28H,8-9,16H2,1-7H3/t17-/m0/s1
InChIKeyTVADZAJCRCDZQU-KRWDZBQOSA-N
MW489.62 g/mol
LogP2.04
Rot. Bonds6

About 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide

6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide (PubChem CID 71000254) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide.

Molecular Properties

Compound Name6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
PubChem CID71000254
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
SMILESCN[C@@H](C)CC1(c2nnn(C)n2)c2ccc(C(=O)N(C)C)cc2CCc2cc(C(=O)N(C)C)ccc21
InChIInChI=1S/C27H35N7O2/c1-17(28-2)16-27(26-29-31-34(7)30-26)22-12-10-20(24(35)32(3)4)14-18(22)8-9-19-15-21(11-13-23(19)27)25(36)33(5)6/h10-15,17,28H,8-9,16H2,1-7H3/t17-/m0/s1
InChIKeyTVADZAJCRCDZQU-KRWDZBQOSA-N
XLogP2.04
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?
The IUPAC name of 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide (CID 71000254) is 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide.
What is the SMILES notation for 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?
The canonical SMILES for 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide is CN[C@@H](C)CC1(c2nnn(C)n2)c2ccc(C(=O)N(C)C)cc2CCc2cc(C(=O)N(C)C)ccc21.
What is the InChIKey of 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?
The InChIKey is TVADZAJCRCDZQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-17(28-2)16-27(26-29-31-34(7)30-26)22-12-10-20(24(35)32(3)4)14-18(22)8-9-19-15-21(11-13-23(19)27)25(36)33(5)6/h10-15,17,28H,8-9,16H2,1-7H3/t17-/m0/s1.
What are the key properties of 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide?
6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide has a molecular weight of 489.62 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,13-N,13-N-tetramethyl-2-[(2S)-2-(methylamino)propyl]-2-(2-methyltetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide is sourced from PubChem (CID 71000254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).