5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide

C24H25ClF2N4O3 — CID 142275038

IUPAC5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cnc(C(=O)NCC(C)(C)C)cn1
InChIInChI=1S/C24H25ClF2N4O3/c1-14-7-20(34-12-15-5-6-16(26)8-18(15)27)21(25)23(33)31(14)11-17-9-29-19(10-28-17)22(32)30-13-24(2,3)4/h5-10H,11-13H2,1-4H3,(H,30,32)
InChIKeyDKYRSUGBULTDKY-UHFFFAOYSA-N
MW490.94 g/mol
LogP4.28
Rot. Bonds7

About 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide

5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide (PubChem CID 142275038) has the molecular formula C24H25ClF2N4O3 and a molecular weight of 490.94 g/mol. Its IUPAC name is 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
PubChem CID142275038
Molecular FormulaC24H25ClF2N4O3
Molecular Weight490.94 g/mol
Exact Mass490.16
IUPAC Name5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cnc(C(=O)NCC(C)(C)C)cn1
InChIInChI=1S/C24H25ClF2N4O3/c1-14-7-20(34-12-15-5-6-16(26)8-18(15)27)21(25)23(33)31(14)11-17-9-29-19(10-28-17)22(32)30-13-24(2,3)4/h5-10H,11-13H2,1-4H3,(H,30,32)
InChIKeyDKYRSUGBULTDKY-UHFFFAOYSA-N
XLogP4.28
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-nitrosoacetamide
CID 143008514
3-bromo-1-[[5-(chloromethyl)pyrazin-2-yl]methyl]-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22051169
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050766
4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
CID 69021901
3-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N,N-dimethylbenzamide
CID 21035310
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[5-(2-nitrosopropan-2-yl)pyrazin-2-yl]methyl]pyridin-2-one
CID 147300437
[5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate
CID 90990490
methyl N-[2-[5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl]ethyl]-N-methylcarbamate
CID 142275138
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-6-methylpyridin-2-one
CID 21035321
2-[[5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl]methyl-methylamino]ethyl 2,2,2-trifluoroacetate
CID 87660359
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-[1-(3-hydroxypropanoyl)pyrazol-4-yl]-6-methylpyridin-2-one
CID 22050963
3-chloro-4-[(2,4-difluorophenyl)methoxy]-1-(1H-indol-5-ylmethyl)-6-methylpyridin-2-one
CID 22050800

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide (CID 142275038) is 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1cnc(C(=O)NCC(C)(C)C)cn1.
What is the InChIKey of 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
The InChIKey is DKYRSUGBULTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4O3/c1-14-7-20(34-12-15-5-6-16(26)8-18(15)27)21(25)23(33)31(14)11-17-9-29-19(10-28-17)22(32)30-13-24(2,3)4/h5-10H,11-13H2,1-4H3,(H,30,32).
What are the key properties of 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide?
5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide has a molecular weight of 490.94 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 142275038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).