4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide

C24H21N5O — CID 134439670

IUPAC4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide
SMILESCc1cccc(-c2nc3n(c2-c2ccnc4ccc(C(N)=O)cc24)C2CCC3C2)n1
InChIInChI=1S/C24H21N5O/c1-13-3-2-4-20(27-13)21-22(29-16-7-5-15(11-16)24(29)28-21)17-9-10-26-19-8-6-14(23(25)30)12-18(17)19/h2-4,6,8-10,12,15-16H,5,7,11H2,1H3,(H2,25,30)
InChIKeyAXCVFCXJQCYEBU-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.39
Rot. Bonds3

About 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide

4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide (PubChem CID 134439670) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide
PubChem CID134439670
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide
SMILESCc1cccc(-c2nc3n(c2-c2ccnc4ccc(C(N)=O)cc24)C2CCC3C2)n1
InChIInChI=1S/C24H21N5O/c1-13-3-2-4-20(27-13)21-22(29-16-7-5-15(11-16)24(29)28-21)17-9-10-26-19-8-6-14(23(25)30)12-18(17)19/h2-4,6,8-10,12,15-16H,5,7,11H2,1H3,(H2,25,30)
InChIKeyAXCVFCXJQCYEBU-UHFFFAOYSA-N
XLogP4.39
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide?
The IUPAC name of 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide (CID 134439670) is 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide?
The canonical SMILES for 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide is Cc1cccc(-c2nc3n(c2-c2ccnc4ccc(C(N)=O)cc24)C2CCC3C2)n1.
What is the InChIKey of 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide?
The InChIKey is AXCVFCXJQCYEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-13-3-2-4-20(27-13)21-22(29-16-7-5-15(11-16)24(29)28-21)17-9-10-26-19-8-6-14(23(25)30)12-18(17)19/h2-4,6,8-10,12,15-16H,5,7,11H2,1H3,(H2,25,30).
What are the key properties of 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide?
4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 134439670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).