N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide

C17H16N2O3 — CID 614608

IUPACN-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide
SMILESCCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12
InChIInChI=1S/C17H16N2O3/c1-3-6-11-9-13-12-7-4-5-8-14(12)22-17(21)15(13)16(19-11)18-10(2)20/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyKJBQEEYXBKICPG-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.25
Rot. Bonds3

About N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide

N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide (PubChem CID 614608) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide
PubChem CID614608
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide
SMILESCCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12
InChIInChI=1S/C17H16N2O3/c1-3-6-11-9-13-12-7-4-5-8-14(12)22-17(21)15(13)16(19-11)18-10(2)20/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyKJBQEEYXBKICPG-UHFFFAOYSA-N
XLogP3.25
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(6-methylpyridin-2-yl)benzamide
CID 656366
N-(2-butyl-5-oxo-5H-chromeno[3,4-c]pyridin-4-yl)propanamide
CID 2059938
2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
CID 3558784
5H-[1]Benzopyrano[3,4-c]pyridin-5-one, 4-amino-2-methyl-
CID 659209
7-amino-10,11,12,13-tetrahydrochromeno[4,3-d]cyclohepta[b]pyridin-6(9H)-one
CID 702168
4-Amino-1-methyl-5h-chromeno[3,4-c]pyridin-5-one
CID 780919
N-[2-(3-methylbutyl)-5-oxo-5H-chromeno[3,4-c]pyridin-4-yl]acetamide
CID 977348
5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 2392552
N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-4-(1-pyrrolidinylsulfonyl)benzamide
CID 3236129
3,3-dimethyl-N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)butanamide
CID 3236750
4-butoxy-N-(6-methylpyridin-2-yl)benzamide
CID 3237591
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)pentanamide
CID 3241673

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide?
The IUPAC name of N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide (CID 614608) is N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide.
What is the SMILES notation for N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide?
The canonical SMILES for N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide is CCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12.
What is the InChIKey of N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide?
The InChIKey is KJBQEEYXBKICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-6-11-9-13-12-7-4-5-8-14(12)22-17(21)15(13)16(19-11)18-10(2)20/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide?
N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide is sourced from PubChem (CID 614608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).