N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide

C19H19N3O5 — CID 142637660

IUPACN-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide
SMILESCC(=O)NC1=C(n2ccccc2=O)c2c(ccc([N+](=O)[O-])c2C)OC1(C)C
InChIInChI=1S/C19H19N3O5/c1-11-13(22(25)26)8-9-14-16(11)17(21-10-6-5-7-15(21)24)18(20-12(2)23)19(3,4)27-14/h5-10H,1-4H3,(H,20,23)
InChIKeyCXPLYZVAVAOCLJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.59
Rot. Bonds3

About N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide

N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide (PubChem CID 142637660) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide
PubChem CID142637660
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide
SMILESCC(=O)NC1=C(n2ccccc2=O)c2c(ccc([N+](=O)[O-])c2C)OC1(C)C
InChIInChI=1S/C19H19N3O5/c1-11-13(22(25)26)8-9-14-16(11)17(21-10-6-5-7-15(21)24)18(20-12(2)23)19(3,4)27-14/h5-10H,1-4H3,(H,20,23)
InChIKeyCXPLYZVAVAOCLJ-UHFFFAOYSA-N
XLogP2.59
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide?
The IUPAC name of N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide (CID 142637660) is N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide.
What is the SMILES notation for N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide?
The canonical SMILES for N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide is CC(=O)NC1=C(n2ccccc2=O)c2c(ccc([N+](=O)[O-])c2C)OC1(C)C.
What is the InChIKey of N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide?
The InChIKey is CXPLYZVAVAOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-13(22(25)26)8-9-14-16(11)17(21-10-6-5-7-15(21)24)18(20-12(2)23)19(3,4)27-14/h5-10H,1-4H3,(H,20,23).
What are the key properties of N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide?
N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide has a molecular weight of 369.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide is sourced from PubChem (CID 142637660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).