N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide

C19H16N2O4 — CID 75435887

IUPACN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)nc1C
InChIInChI=1S/C19H16N2O4/c1-11-15(12(2)22)8-7-14(21-11)10-20-18(23)16-9-13-5-3-4-6-17(13)25-19(16)24/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyUQQWFARJFMZGRQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.63
Rot. Bonds4

About N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide

N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 75435887) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID75435887
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)nc1C
InChIInChI=1S/C19H16N2O4/c1-11-15(12(2)22)8-7-14(21-11)10-20-18(23)16-9-13-5-3-4-6-17(13)25-19(16)24/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyUQQWFARJFMZGRQ-UHFFFAOYSA-N
XLogP2.63
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 56786046
3-(5-acetyl-6-methyl-2-pyridinyl)chromen-2-one
CID 23248661
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110743007
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
CID 122261785
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 108737563
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxochromene-3-carboxamide
CID 110440714
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide
CID 166250565
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide (CID 75435887) is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide is CC(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)nc1C.
What is the InChIKey of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is UQQWFARJFMZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-15(12(2)22)8-7-14(21-11)10-20-18(23)16-9-13-5-3-4-6-17(13)25-19(16)24/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide?
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 75435887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).