N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C24H21N3O3 — CID 121363503

IUPACN-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cccc(C(=O)N2CCC2)c1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C24H21N3O3/c28-23(26-13-16-3-1-4-18(11-16)24(29)27-9-2-10-27)17-5-6-21-20-7-8-25-14-19(20)15-30-22(21)12-17/h1,3-8,11-12,14H,2,9-10,13,15H2,(H,26,28)
InChIKeyAGOWTYBTSFWBLN-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.42
Rot. Bonds4

About N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363503) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363503
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cccc(C(=O)N2CCC2)c1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C24H21N3O3/c28-23(26-13-16-3-1-4-18(11-16)24(29)27-9-2-10-27)17-5-6-21-20-7-8-25-14-19(20)15-30-22(21)12-17/h1,3-8,11-12,14H,2,9-10,13,15H2,(H,26,28)
InChIKeyAGOWTYBTSFWBLN-UHFFFAOYSA-N
XLogP3.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363833
N-[[3-(3-methoxyazetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159089
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363594
N-[[3-[ethyl(methyl)carbamoyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159098
N-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663
N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363553
N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363595
N-[(3-methylphenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 129171346
2-[3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxylic acid
CID 129159176
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363835
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363730

Frequently Asked Questions

What is the IUPAC name of N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363503) is N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1cccc(C(=O)N2CCC2)c1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is AGOWTYBTSFWBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(26-13-16-3-1-4-18(11-16)24(29)27-9-2-10-27)17-5-6-21-20-7-8-25-14-19(20)15-30-22(21)12-17/h1,3-8,11-12,14H,2,9-10,13,15H2,(H,26,28).
What are the key properties of N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).