N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide

C19H20N2O3 — CID 977348

IUPACN-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1nc(CCC(C)C)cc2c1c(=O)oc1ccccc12
InChIInChI=1S/C19H20N2O3/c1-11(2)8-9-13-10-15-14-6-4-5-7-16(14)24-19(23)17(15)18(21-13)20-12(3)22/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyXVSLXAPRGNLYEX-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.89
Rot. Bonds4

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

N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide (PubChem CID 977348) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide
PubChem CID977348
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1nc(CCC(C)C)cc2c1c(=O)oc1ccccc12
InChIInChI=1S/C19H20N2O3/c1-11(2)8-9-13-10-15-14-6-4-5-7-16(14)24-19(23)17(15)18(21-13)20-12(3)22/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,22)
InChIKeyXVSLXAPRGNLYEX-UHFFFAOYSA-N
XLogP3.89
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.89
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

N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide
CID 614608
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
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
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide
CID 3242274

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
The IUPAC name of N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide (CID 977348) is N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
The canonical SMILES for N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide is CC(=O)Nc1nc(CCC(C)C)cc2c1c(=O)oc1ccccc12.
What is the InChIKey of N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
The InChIKey is XVSLXAPRGNLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11(2)8-9-13-10-15-14-6-4-5-7-16(14)24-19(23)17(15)18(21-13)20-12(3)22/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,22).
What are the key properties of N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide is sourced from PubChem (CID 977348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).