3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide

C19H20N2O3 — CID 3236750

IUPAC3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)(C)C)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C19H20N2O3/c1-11-9-14(20-15(22)10-19(2,3)4)21-17-12-7-5-6-8-13(12)24-18(23)16(11)17/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyOHCDYPCYCBWIGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.02
Rot. Bonds2

About 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide

3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide (PubChem CID 3236750) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide
PubChem CID3236750
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)(C)C)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C19H20N2O3/c1-11-9-14(20-15(22)10-19(2,3)4)21-17-12-7-5-6-8-13(12)24-18(23)16(11)17/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyOHCDYPCYCBWIGV-UHFFFAOYSA-N
XLogP4.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.02
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-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxo-1-benzopyran-3-yl)benzamide
CID 1258911
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
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
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 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide (CID 3236750) is 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide is Cc1cc(NC(=O)CC(C)(C)C)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
The InChIKey is OHCDYPCYCBWIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-9-14(20-15(22)10-19(2,3)4)21-17-12-7-5-6-8-13(12)24-18(23)16(11)17/h5-9H,10H2,1-4H3,(H,20,21,22).
What are the key properties of 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide?
3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide has a molecular weight of 324.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)butanamide is sourced from PubChem (CID 3236750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).