4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide

C24H25N3O4 — CID 172657074

IUPAC4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)Nc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H25N3O4/c1-17-11-13-27(15-21-6-4-14-30-21)24(29)22(17)23(28)26-18-7-9-20(10-8-18)31-16-19-5-2-3-12-25-19/h2-3,5,7-13,21H,4,6,14-16H2,1H3,(H,26,28)
InChIKeyQJNUJTFNTAYVCS-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.56
Rot. Bonds7

About 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide

4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 172657074) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
PubChem CID172657074
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)Nc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H25N3O4/c1-17-11-13-27(15-21-6-4-14-30-21)24(29)22(17)23(28)26-18-7-9-20(10-8-18)31-16-19-5-2-3-12-25-19/h2-3,5,7-13,21H,4,6,14-16H2,1H3,(H,26,28)
InChIKeyQJNUJTFNTAYVCS-UHFFFAOYSA-N
XLogP3.56
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172660780
methyl 3-fluoro-5-[[4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonyl]amino]benzoate
CID 172656404
4-methyl-1-(oxolan-2-ylmethyl)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyridin-2-one
CID 172666689
4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172662084
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172666834
2-methyl-1-(oxolan-2-ylmethyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111137531
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide
CID 172671508
2-methyl-1-(oxolan-2-ylmethyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111137530
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
CID 172672246
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide (CID 172657074) is 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide is Cc1ccn(CC2CCCO2)c(=O)c1C(=O)Nc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is QJNUJTFNTAYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17-11-13-27(15-21-6-4-14-30-21)24(29)22(17)23(28)26-18-7-9-20(10-8-18)31-16-19-5-2-3-12-25-19/h2-3,5,7-13,21H,4,6,14-16H2,1H3,(H,26,28).
What are the key properties of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 172657074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).