N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H15N3O2 — CID 121363595

IUPACN-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C21H15N3O2/c22-10-14-1-3-15(4-2-14)11-24-21(25)16-5-6-19-18-7-8-23-12-17(18)13-26-20(19)9-16/h1-9,12H,11,13H2,(H,24,25)
InChIKeyQRFMLMNXCKBQOP-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.44
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363595) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363595
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C21H15N3O2/c22-10-14-1-3-15(4-2-14)11-24-21(25)16-5-6-19-18-7-8-23-12-17(18)13-26-20(19)9-16/h1-9,12H,11,13H2,(H,24,25)
InChIKeyQRFMLMNXCKBQOP-UHFFFAOYSA-N
XLogP3.44
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363594
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363835
N-[[3-[ethyl(methyl)carbamoyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159098
N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363503
N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363730
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363583
N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363833
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363848
N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363553
N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159089
N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 129171346

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363595) is N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is N#Cc1ccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is QRFMLMNXCKBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c22-10-14-1-3-15(4-2-14)11-24-21(25)16-5-6-19-18-7-8-23-12-17(18)13-26-20(19)9-16/h1-9,12H,11,13H2,(H,24,25).
What are the key properties of N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).