N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H18N2O2 — CID 121363543

IUPACN-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-14(15-5-3-2-4-6-15)23-21(24)16-7-8-19-18-9-10-22-12-17(18)13-25-20(19)11-16/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyJSBFPPNKJVBJKX-CQSZACIVSA-N
MW330.39 g/mol
LogP4.13
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363543) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363543
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-14(15-5-3-2-4-6-15)23-21(24)16-7-8-19-18-9-10-22-12-17(18)13-25-20(19)11-16/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyJSBFPPNKJVBJKX-CQSZACIVSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363543) is N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)OCc1cnccc1-2)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is JSBFPPNKJVBJKX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14(15-5-3-2-4-6-15)23-21(24)16-7-8-19-18-9-10-22-12-17(18)13-25-20(19)11-16/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).