5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

C19H21N3O4 — CID 161288744

IUPAC5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2ccc(OC)nc2)c1=O
InChIInChI=1S/C19H21N3O4/c1-20-18(24)15-8-14(16(23)7-12-3-4-12)11-22(19(15)25)10-13-5-6-17(26-2)21-9-13/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,20,24)
InChIKeyVGBKJQMPBAQRGQ-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.64
Rot. Bonds7

About 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 161288744) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID161288744
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2ccc(OC)nc2)c1=O
InChIInChI=1S/C19H21N3O4/c1-20-18(24)15-8-14(16(23)7-12-3-4-12)11-22(19(15)25)10-13-5-6-17(26-2)21-9-13/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,20,24)
InChIKeyVGBKJQMPBAQRGQ-UHFFFAOYSA-N
XLogP1.64
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 161288744) is 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2ccc(OC)nc2)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VGBKJQMPBAQRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-20-18(24)15-8-14(16(23)7-12-3-4-12)11-22(19(15)25)10-13-5-6-17(26-2)21-9-13/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,20,24).
What are the key properties of 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-1-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 161288744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).