5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide

C27H28ClFN4O7 — CID 126651279

IUPAC5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESCOc1c[nH]c(=O)c(C(CC2COCCO2)C(=O)Nc2ccc(C(N)=O)nc2)c1-c1cc(Cl)ccc1OCCF
InChIInChI=1S/C27H28ClFN4O7/c1-37-22-13-32-27(36)24(23(22)18-10-15(28)2-5-21(18)40-7-6-29)19(11-17-14-38-8-9-39-17)26(35)33-16-3-4-20(25(30)34)31-12-16/h2-5,10,12-13,17,19H,6-9,11,14H2,1H3,(H2,30,34)(H,32,36)(H,33,35)
InChIKeyFTEUVTSLXYPBIE-UHFFFAOYSA-N
MW574.99 g/mol
LogP3.07
Rot. Bonds11

About 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 126651279) has the molecular formula C27H28ClFN4O7 and a molecular weight of 574.99 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide
PubChem CID126651279
Molecular FormulaC27H28ClFN4O7
Molecular Weight574.99 g/mol
Exact Mass574.16
IUPAC Name5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESCOc1c[nH]c(=O)c(C(CC2COCCO2)C(=O)Nc2ccc(C(N)=O)nc2)c1-c1cc(Cl)ccc1OCCF
InChIInChI=1S/C27H28ClFN4O7/c1-37-22-13-32-27(36)24(23(22)18-10-15(28)2-5-21(18)40-7-6-29)19(11-17-14-38-8-9-39-17)26(35)33-16-3-4-20(25(30)34)31-12-16/h2-5,10,12-13,17,19H,6-9,11,14H2,1H3,(H2,30,34)(H,32,36)(H,33,35)
InChIKeyFTEUVTSLXYPBIE-UHFFFAOYSA-N
XLogP3.07
TPSA154.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.99
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoic acid
CID 126650872
2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoic acid
CID 126650898
methyl 4-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-4-propan-2-yloxybutanoyl]amino]benzoate
CID 126650886
5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
CID 135205957
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoyl]amino]pyridine-2-carboxamide
CID 118981658
5-[[2-(2,4-dichlorophenoxy)acetyl]amino]pyridine-2-carboxamide
CID 167856049
5-(1,4-dioxan-2-ylmethylamino)pyridine-2-carbothioamide
CID 115488292
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164
methyl 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]-4-methoxybutanoyl]amino]thiophene-2-carboxylate
CID 118978124
5-[[2-chloro-3-fluoro-6-(4-hydroxy-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxamide
CID 163494304
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
CID 155468227

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide (CID 126651279) is 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide is COc1c[nH]c(=O)c(C(CC2COCCO2)C(=O)Nc2ccc(C(N)=O)nc2)c1-c1cc(Cl)ccc1OCCF.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide?
The InChIKey is FTEUVTSLXYPBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN4O7/c1-37-22-13-32-27(36)24(23(22)18-10-15(28)2-5-21(18)40-7-6-29)19(11-17-14-38-8-9-39-17)26(35)33-16-3-4-20(25(30)34)31-12-16/h2-5,10,12-13,17,19H,6-9,11,14H2,1H3,(H2,30,34)(H,32,36)(H,33,35).
What are the key properties of 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 574.99 g/mol, XLogP of 3.07, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[5-chloro-2-(2-fluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-(1,4-dioxan-2-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 126651279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).