6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide

C17H19N3O3 — CID 118612909

IUPAC6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OCC2CCCO2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C17H19N3O3/c1-12-9-14(23-11-13-5-4-8-22-13)10-15(19-12)17(21)20-16-6-2-3-7-18-16/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,18,20,21)
InChIKeyAARTVDWYGBVPGP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.60
Rot. Bonds5

About 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide

6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 118612909) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID118612909
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OCC2CCCO2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C17H19N3O3/c1-12-9-14(23-11-13-5-4-8-22-13)10-15(19-12)17(21)20-16-6-2-3-7-18-16/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,18,20,21)
InChIKeyAARTVDWYGBVPGP-UHFFFAOYSA-N
XLogP2.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide (CID 118612909) is 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide is Cc1cc(OCC2CCCO2)cc(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is AARTVDWYGBVPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-9-14(23-11-13-5-4-8-22-13)10-15(19-12)17(21)20-16-6-2-3-7-18-16/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,18,20,21).
What are the key properties of 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 118612909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).