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

C18H18N2O3 — CID 3241673

IUPACN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1
InChIInChI=1S/C18H18N2O3/c1-3-4-9-15(21)19-14-10-11(2)16-17(20-14)12-7-5-6-8-13(12)23-18(16)22/h5-8,10H,3-4,9H2,1-2H3,(H,19,20,21)
InChIKeyKJCGWSLHXGVVSO-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.78
Rot. Bonds4

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

N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide (PubChem CID 3241673) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide.

Molecular Properties

Compound NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide
PubChem CID3241673
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1
InChIInChI=1S/C18H18N2O3/c1-3-4-9-15(21)19-14-10-11(2)16-17(20-14)12-7-5-6-8-13(12)23-18(16)22/h5-8,10H,3-4,9H2,1-2H3,(H,19,20,21)
InChIKeyKJCGWSLHXGVVSO-UHFFFAOYSA-N
XLogP3.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.78
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-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
CID 10760609
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
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
2-{[(4-methoxyphenyl)carbonyl]amino}-N-(6-methylpyridin-2-yl)benzamide
CID 1980822
N-(5-bromo-6-methylpyridin-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide
CID 1999124

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide?
The IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide (CID 3241673) is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide.
What is the SMILES notation for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide?
The canonical SMILES for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide is CCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1.
What is the InChIKey of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide?
The InChIKey is KJCGWSLHXGVVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-4-9-15(21)19-14-10-11(2)16-17(20-14)12-7-5-6-8-13(12)23-18(16)22/h5-8,10H,3-4,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide?
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide has a molecular weight of 310.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)pentanamide is sourced from PubChem (CID 3241673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).