5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide

C24H29F2N3O6 — CID 142367218

IUPAC5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide
SMILESCCC(OC)c1[nH]c(C(=O)N(C)C2(C)CCOC2)c(O)c(=O)c1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C24H29F2N3O6/c1-5-16(34-4)18-17(22(32)27-11-13-6-7-14(25)10-15(13)26)20(30)21(31)19(28-18)23(33)29(3)24(2)8-9-35-12-24/h6-7,10,16,31H,5,8-9,11-12H2,1-4H3,(H,27,32)(H,28,30)
InChIKeySIHKSDNUDXHBLA-UHFFFAOYSA-N
MW493.51 g/mol
LogP2.64
Rot. Bonds8

About 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide

5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide (PubChem CID 142367218) has the molecular formula C24H29F2N3O6 and a molecular weight of 493.51 g/mol. Its IUPAC name is 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide
PubChem CID142367218
Molecular FormulaC24H29F2N3O6
Molecular Weight493.51 g/mol
Exact Mass493.20
IUPAC Name5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide
SMILESCCC(OC)c1[nH]c(C(=O)N(C)C2(C)CCOC2)c(O)c(=O)c1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C24H29F2N3O6/c1-5-16(34-4)18-17(22(32)27-11-13-6-7-14(25)10-15(13)26)20(30)21(31)19(28-18)23(33)29(3)24(2)8-9-35-12-24/h6-7,10,16,31H,5,8-9,11-12H2,1-4H3,(H,27,32)(H,28,30)
InChIKeySIHKSDNUDXHBLA-UHFFFAOYSA-N
XLogP2.64
TPSA120.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-2-N-methyl-4-oxo-2-N-[3-(4,4,4-trifluorobutylamino)oxolan-3-yl]-1H-pyridine-2,5-dicarboxamide
CID 144870946
N-[(2,4-difluorophenyl)methyl]-5'-hydroxy-3'-(3-methoxypropyl)-1'-methyl-4',6'-dioxospiro[oxolane-3,2'-pyrido[2,1-f][1,2,4]triazine]-7'-carboxamide
CID 118183426
(1S)-8-N-[(2,4-difluorophenyl)methyl]-1-(ethylamino)-6-hydroxy-5-N,5-N-dimethyl-7-oxo-2,3-dihydro-1H-indolizine-5,8-dicarboxamide
CID 166978687
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,3'-oxane]-7-carboxamide
CID 121402008
(3S)-1'-(2-diethoxyphosphorylethyl)-N-[(2,4-difluorophenyl)methyl]-5'-hydroxy-3'-methyl-4',6'-dioxospiro[oxolane-3,2'-pyrido[2,1-f][1,2,4]triazine]-7'-carboxamide
CID 140943023
N-[(2,4-difluorophenyl)methyl]-10-hydroxy-7-(2-methoxyethyl)-8,11-dioxo-3-oxa-7,13-diazatricyclo[7.3.1.05,13]trideca-1(12),9-diene-12-carboxamide
CID 90468349
N-[(2,4-difluorophenyl)methyl]-2-(2-ethoxyethyl)-9-hydroxy-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 118183492
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-7-[methyl(propyl)amino]-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 145161108
N-[(2,4-difluorophenyl)methyl]-6-hydroxy-1-methyl-5,8-dioxospiro[13-oxa-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-11,1'-cyclopropane]-4-carboxamide
CID 155258969
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 155273838
(2'R,4S)-N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(methoxymethyl)-8-oxo-2-propan-2-ylspiro[1,3-dihydropyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 134377160
(2'S,4S)-N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(methoxymethyl)-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90312426

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide (CID 142367218) is 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide is CCC(OC)c1[nH]c(C(=O)N(C)C2(C)CCOC2)c(O)c(=O)c1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide?
The InChIKey is SIHKSDNUDXHBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O6/c1-5-16(34-4)18-17(22(32)27-11-13-6-7-14(25)10-15(13)26)20(30)21(31)19(28-18)23(33)29(3)24(2)8-9-35-12-24/h6-7,10,16,31H,5,8-9,11-12H2,1-4H3,(H,27,32)(H,28,30).
What are the key properties of 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide?
5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide has a molecular weight of 493.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-6-(1-methoxypropyl)-2-N-methyl-2-N-(3-methyloxolan-3-yl)-4-oxo-1H-pyridine-2,5-dicarboxamide is sourced from PubChem (CID 142367218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).