(1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

C21H27N3O — CID 6543907

IUPAC(1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)[C@@]1(C)CC[C@@]3(C(=O)N(C)C)C1(C)C
InChIInChI=1S/C21H27N3O/c1-12-10-14-15(11-13(12)2)23-17-16(22-14)20(5)8-9-21(17,19(20,3)4)18(25)24(6)7/h10-11H,8-9H2,1-7H3/t20-,21-/m1/s1
InChIKeyFZVHJNRIOZUKIO-NHCUHLMSSA-N
MW337.47 g/mol
LogP3.66
Rot. Bonds1

About (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide

(1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (PubChem CID 6543907) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name(1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
PubChem CID6543907
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
SMILESCc1cc2nc3c(nc2cc1C)[C@@]1(C)CC[C@@]3(C(=O)N(C)C)C1(C)C
InChIInChI=1S/C21H27N3O/c1-12-10-14-15(11-13(12)2)23-17-16(22-14)20(5)8-9-21(17,19(20,3)4)18(25)24(6)7/h10-11H,8-9H2,1-7H3/t20-,21-/m1/s1
InChIKeyFZVHJNRIOZUKIO-NHCUHLMSSA-N
XLogP3.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The IUPAC name of (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide (CID 6543907) is (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide.
What is the SMILES notation for (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The canonical SMILES for (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is Cc1cc2nc3c(nc2cc1C)[C@@]1(C)CC[C@@]3(C(=O)N(C)C)C1(C)C.
What is the InChIKey of (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
The InChIKey is FZVHJNRIOZUKIO-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27N3O/c1-12-10-14-15(11-13(12)2)23-17-16(22-14)20(5)8-9-21(17,19(20,3)4)18(25)24(6)7/h10-11H,8-9H2,1-7H3/t20-,21-/m1/s1.
What are the key properties of (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide?
(1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12S)-N,N,6,7,12,15,15-heptamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide is sourced from PubChem (CID 6543907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).