N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C24H19N3O3S — CID 121363548

IUPACN-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1nc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)cs1
InChIInChI=1S/C24H19N3O3S/c1-29-24-27-21(14-31-24)16-4-2-3-15(9-16)11-26-23(28)17-5-6-20-19-7-8-25-12-18(19)13-30-22(20)10-17/h2-10,12,14H,11,13H2,1H3,(H,26,28)
InChIKeyHBHQZPFPHUPPPL-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.70
Rot. Bonds5

About N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363548) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363548
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCOc1nc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)cs1
InChIInChI=1S/C24H19N3O3S/c1-29-24-27-21(14-31-24)16-4-2-3-15(9-16)11-26-23(28)17-5-6-20-19-7-8-25-12-18(19)13-30-22(20)10-17/h2-10,12,14H,11,13H2,1H3,(H,26,28)
InChIKeyHBHQZPFPHUPPPL-UHFFFAOYSA-N
XLogP4.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363548) is N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is COc1nc(-c2cccc(CNC(=O)c3ccc4c(c3)OCc3cnccc3-4)c2)cs1.
What is the InChIKey of N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is HBHQZPFPHUPPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-29-24-27-21(14-31-24)16-4-2-3-15(9-16)11-26-23(28)17-5-6-20-19-7-8-25-12-18(19)13-30-22(20)10-17/h2-10,12,14H,11,13H2,1H3,(H,26,28).
What are the key properties of N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxy-1,3-thiazol-4-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).