6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide

C23H19N5O — CID 134439748

IUPAC6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@H]3CC[C@@H]4C3)cc12
InChIInChI=1S/C23H19N5O/c24-22(29)16-8-10-26-18-7-5-13(12-17(16)18)21-20(19-3-1-2-9-25-19)27-23-14-4-6-15(11-14)28(21)23/h1-3,5,7-10,12,14-15H,4,6,11H2,(H2,24,29)/t14-,15+/m1/s1
InChIKeyWJYMSSHTDGFYAA-CABCVRRESA-N
MW381.44 g/mol
LogP4.08
Rot. Bonds3

About 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide

6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide (PubChem CID 134439748) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
PubChem CID134439748
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide
SMILESNC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@H]3CC[C@@H]4C3)cc12
InChIInChI=1S/C23H19N5O/c24-22(29)16-8-10-26-18-7-5-13(12-17(16)18)21-20(19-3-1-2-9-25-19)27-23-14-4-6-15(11-14)28(21)23/h1-3,5,7-10,12,14-15H,4,6,11H2,(H2,24,29)/t14-,15+/m1/s1
InChIKeyWJYMSSHTDGFYAA-CABCVRRESA-N
XLogP4.08
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
The IUPAC name of 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide (CID 134439748) is 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide is NC(=O)c1ccnc2ccc(-c3c(-c4ccccn4)nc4n3[C@H]3CC[C@@H]4C3)cc12.
What is the InChIKey of 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
The InChIKey is WJYMSSHTDGFYAA-CABCVRRESA-N. The full InChI is InChI=1S/C23H19N5O/c24-22(29)16-8-10-26-18-7-5-13(12-17(16)18)21-20(19-3-1-2-9-25-19)27-23-14-4-6-15(11-14)28(21)23/h1-3,5,7-10,12,14-15H,4,6,11H2,(H2,24,29)/t14-,15+/m1/s1.
What are the key properties of 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide?
6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,7R)-4-pyridin-2-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 134439748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).