6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide

C18H20N2O4 — CID 99953564

IUPAC6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)o1
InChIInChI=1S/C18H20N2O4/c1-13-9-15(21)10-17(24-13)18(22)20(12-16-6-4-8-23-16)11-14-5-2-3-7-19-14/h2-3,5,7,9-10,16H,4,6,8,11-12H2,1H3/t16-/m0/s1
InChIKeyHXPSFRRJQQHHPN-INIZCTEOSA-N
MW328.37 g/mol
LogP2.16
Rot. Bonds5

About 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide

6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide (PubChem CID 99953564) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
PubChem CID99953564
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)o1
InChIInChI=1S/C18H20N2O4/c1-13-9-15(21)10-17(24-13)18(22)20(12-16-6-4-8-23-16)11-14-5-2-3-7-19-14/h2-3,5,7,9-10,16H,4,6,8,11-12H2,1H3/t16-/m0/s1
InChIKeyHXPSFRRJQQHHPN-INIZCTEOSA-N
XLogP2.16
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92613662
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
3,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 171672352
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637
4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 92612247
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46978882
5-methoxy-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 97152220

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide (CID 99953564) is 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide is Cc1cc(=O)cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)o1.
What is the InChIKey of 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide?
The InChIKey is HXPSFRRJQQHHPN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-9-15(21)10-17(24-13)18(22)20(12-16-6-4-8-23-16)11-14-5-2-3-7-19-14/h2-3,5,7,9-10,16H,4,6,8,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide?
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide is sourced from PubChem (CID 99953564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).