N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide

C18H18F2N2O4 — CID 11245452

IUPACN-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide
SMILESCOc1cc(C2CCCO2)nc(C(=O)NCc2ccc(F)cc2F)c1O
InChIInChI=1S/C18H18F2N2O4/c1-25-15-8-13(14-3-2-6-26-14)22-16(17(15)23)18(24)21-9-10-4-5-11(19)7-12(10)20/h4-5,7-8,14,23H,2-3,6,9H2,1H3,(H,21,24)
InChIKeyXAKNBDNQPNCMRI-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.86
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide

N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide (PubChem CID 11245452) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide
PubChem CID11245452
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide
SMILESCOc1cc(C2CCCO2)nc(C(=O)NCc2ccc(F)cc2F)c1O
InChIInChI=1S/C18H18F2N2O4/c1-25-15-8-13(14-3-2-6-26-14)22-16(17(15)23)18(24)21-9-10-4-5-11(19)7-12(10)20/h4-5,7-8,14,23H,2-3,6,9H2,1H3,(H,21,24)
InChIKeyXAKNBDNQPNCMRI-UHFFFAOYSA-N
XLogP2.86
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399228
2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399227
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399230
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 91628561
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-[(2,4-difluorophenyl)methylcarbamoyl]-1,3-oxazol-5-yl]methyl carbamate
CID 174983024
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 118475895
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide (CID 11245452) is N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide is COc1cc(C2CCCO2)nc(C(=O)NCc2ccc(F)cc2F)c1O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide?
The InChIKey is XAKNBDNQPNCMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-25-15-8-13(14-3-2-6-26-14)22-16(17(15)23)18(24)21-9-10-4-5-11(19)7-12(10)20/h4-5,7-8,14,23H,2-3,6,9H2,1H3,(H,21,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-methoxy-6-(oxolan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11245452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).