N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

C22H22N4O4 — CID 166123675

IUPACN-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCOCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3n(C)c2=O)cn1
InChIInChI=1S/C22H22N4O4/c1-12-6-17(19(27)11-30-3)23-10-16(12)15-7-14-9-24-20(25-21(28)13-4-5-13)8-18(14)26(2)22(15)29/h6-10,13H,4-5,11H2,1-3H3,(H,24,25,28)
InChIKeyWXEMGQJBDDVOPT-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.48
Rot. Bonds6

About N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (PubChem CID 166123675) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
PubChem CID166123675
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCOCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3n(C)c2=O)cn1
InChIInChI=1S/C22H22N4O4/c1-12-6-17(19(27)11-30-3)23-10-16(12)15-7-14-9-24-20(25-21(28)13-4-5-13)8-18(14)26(2)22(15)29/h6-10,13H,4-5,11H2,1-3H3,(H,24,25,28)
InChIKeyWXEMGQJBDDVOPT-UHFFFAOYSA-N
XLogP2.48
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (CID 166123675) is N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is COCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3n(C)c2=O)cn1.
What is the InChIKey of N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is WXEMGQJBDDVOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-12-6-17(19(27)11-30-3)23-10-16(12)15-7-14-9-24-20(25-21(28)13-4-5-13)8-18(14)26(2)22(15)29/h6-10,13H,4-5,11H2,1-3H3,(H,24,25,28).
What are the key properties of N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166123675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).