5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide

C22H21N3O3 — CID 160751472

IUPAC5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3cccnc23)c1=O
InChIInChI=1S/C22H21N3O3/c1-23-21(27)18-11-17(19(26)10-14-7-8-14)13-25(22(18)28)12-16-5-2-4-15-6-3-9-24-20(15)16/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,23,27)
InChIKeyRWWMMGSTCTZUKD-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.79
Rot. Bonds6

About 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide

5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide (PubChem CID 160751472) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
PubChem CID160751472
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3cccnc23)c1=O
InChIInChI=1S/C22H21N3O3/c1-23-21(27)18-11-17(19(26)10-14-7-8-14)13-25(22(18)28)12-16-5-2-4-15-6-3-9-24-20(15)16/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,23,27)
InChIKeyRWWMMGSTCTZUKD-UHFFFAOYSA-N
XLogP2.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide (CID 160751472) is 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2cccc3cccnc23)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RWWMMGSTCTZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-23-21(27)18-11-17(19(26)10-14-7-8-14)13-25(22(18)28)12-16-5-2-4-15-6-3-9-24-20(15)16/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,23,27).
What are the key properties of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 160751472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).