6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

C24H30N4O — CID 166617675

IUPAC6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(N2C[C@@H]3C[C@H](C2)[C@@H]2CCC[C@H](c4ccccc4)N2C3)n1
InChIInChI=1S/C24H30N4O/c1-16-10-11-20(23(25)29)24(26-16)27-13-17-12-19(15-27)22-9-5-8-21(28(22)14-17)18-6-3-2-4-7-18/h2-4,6-7,10-11,17,19,21-22H,5,8-9,12-15H2,1H3,(H2,25,29)/t17-,19+,21+,22-/m0/s1
InChIKeyGOQIVHCTPYXGAM-GWWHBBDRSA-N
MW390.53 g/mol
LogP3.54
Rot. Bonds3

About 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide

6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (PubChem CID 166617675) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
PubChem CID166617675
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(N2C[C@@H]3C[C@H](C2)[C@@H]2CCC[C@H](c4ccccc4)N2C3)n1
InChIInChI=1S/C24H30N4O/c1-16-10-11-20(23(25)29)24(26-16)27-13-17-12-19(15-27)22-9-5-8-21(28(22)14-17)18-6-3-2-4-7-18/h2-4,6-7,10-11,17,19,21-22H,5,8-9,12-15H2,1H3,(H2,25,29)/t17-,19+,21+,22-/m0/s1
InChIKeyGOQIVHCTPYXGAM-GWWHBBDRSA-N
XLogP3.54
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (CID 166617675) is 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is Cc1ccc(C(N)=O)c(N2C[C@@H]3C[C@H](C2)[C@@H]2CCC[C@H](c4ccccc4)N2C3)n1.
What is the InChIKey of 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The InChIKey is GOQIVHCTPYXGAM-GWWHBBDRSA-N. The full InChI is InChI=1S/C24H30N4O/c1-16-10-11-20(23(25)29)24(26-16)27-13-17-12-19(15-27)22-9-5-8-21(28(22)14-17)18-6-3-2-4-7-18/h2-4,6-7,10-11,17,19,21-22H,5,8-9,12-15H2,1H3,(H2,25,29)/t17-,19+,21+,22-/m0/s1.
What are the key properties of 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166617675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).