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

C24H20N4O2 — CID 121363677

IUPACN-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCn1nccc1-c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C24H20N4O2/c1-28-22(8-10-27-28)17-4-2-3-16(11-17)13-26-24(29)18-5-6-21-20-7-9-25-14-19(20)15-30-23(21)12-18/h2-12,14H,13,15H2,1H3,(H,26,29)
InChIKeyDXHMUJYANTWIII-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.97
Rot. Bonds4

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

N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363677) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363677
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCn1nccc1-c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1
InChIInChI=1S/C24H20N4O2/c1-28-22(8-10-27-28)17-4-2-3-16(11-17)13-26-24(29)18-5-6-21-20-7-9-25-14-19(20)15-30-23(21)12-18/h2-12,14H,13,15H2,1H3,(H,26,29)
InChIKeyDXHMUJYANTWIII-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363677) is N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is Cn1nccc1-c1cccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c1.
What is the InChIKey of N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is DXHMUJYANTWIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-28-22(8-10-27-28)17-4-2-3-16(11-17)13-26-24(29)18-5-6-21-20-7-9-25-14-19(20)15-30-23(21)12-18/h2-12,14H,13,15H2,1H3,(H,26,29).
What are the key properties of N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).