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

C20H30N4O — CID 166619943

IUPAC6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESCCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(c4ccc(C(N)=O)cn4)C3)CN12
InChIInChI=1S/C20H30N4O/c1-2-4-17-5-3-6-18-16-9-14(12-24(17)18)11-23(13-16)19-8-7-15(10-22-19)20(21)25/h7-8,10,14,16-18H,2-6,9,11-13H2,1H3,(H2,21,25)/t14-,16+,17-,18-/m0/s1
InChIKeyLKMNMLAFYLTVCP-RANZSIQMSA-N
MW342.49 g/mol
LogP2.66
Rot. Bonds4

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

6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (PubChem CID 166619943) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
PubChem CID166619943
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
SMILESCCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(c4ccc(C(N)=O)cn4)C3)CN12
InChIInChI=1S/C20H30N4O/c1-2-4-17-5-3-6-18-16-9-14(12-24(17)18)11-23(13-16)19-8-7-15(10-22-19)20(21)25/h7-8,10,14,16-18H,2-6,9,11-13H2,1H3,(H2,21,25)/t14-,16+,17-,18-/m0/s1
InChIKeyLKMNMLAFYLTVCP-RANZSIQMSA-N
XLogP2.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide (CID 166619943) is 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is CCC[C@H]1CCC[C@H]2[C@@H]3C[C@@H](CN(c4ccc(C(N)=O)cn4)C3)CN12.
What is the InChIKey of 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
The InChIKey is LKMNMLAFYLTVCP-RANZSIQMSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-4-17-5-3-6-18-16-9-14(12-24(17)18)11-23(13-16)19-8-7-15(10-22-19)20(21)25/h7-8,10,14,16-18H,2-6,9,11-13H2,1H3,(H2,21,25)/t14-,16+,17-,18-/m0/s1.
What are the key properties of 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide?
6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166619943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).