6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide

C21H17F2N5O5 — CID 10479234

IUPAC6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n(C)c3o2)ccn1
InChIInChI=1S/C21H17F2N5O5/c1-27-20-16(19(30)28(21(27)31)10-12-3-4-13(22)14(23)7-12)26-18(33-20)17(29)25-9-11-5-6-24-15(8-11)32-2/h3-8H,9-10H2,1-2H3,(H,25,29)
InChIKeyNUXCKPUQRSIQGV-UHFFFAOYSA-N
MW457.39 g/mol
LogP1.35
Rot. Bonds6

About 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide

6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 10479234) has the molecular formula C21H17F2N5O5 and a molecular weight of 457.39 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID10479234
Molecular FormulaC21H17F2N5O5
Molecular Weight457.39 g/mol
Exact Mass457.12
IUPAC Name6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n(C)c3o2)ccn1
InChIInChI=1S/C21H17F2N5O5/c1-27-20-16(19(30)28(21(27)31)10-12-3-4-13(22)14(23)7-12)26-18(33-20)17(29)25-9-11-5-6-24-15(8-11)32-2/h3-8H,9-10H2,1-2H3,(H,25,29)
InChIKeyNUXCKPUQRSIQGV-UHFFFAOYSA-N
XLogP1.35
TPSA121.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-N-[(2-ethoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide
CID 139996904
3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 10322434
3-[(3,4-difluorophenyl)methyl]-4-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2-oxoquinoline-6-carboxamide
CID 91228004
3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 90998405
3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 90876283
3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4,7-trioxo-8H-pyrimido[5,4-b][1,4]thiazine-6-carboxamide
CID 91204504
6-[(3-fluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide;hydrochloride
CID 139993857
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide
CID 10434153
5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
CID 146080383
(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 91415877
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3,4]oxadiazolo[3,2-a]pyridine-2-carboxamide
CID 10321814
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide (CID 10479234) is 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide is COc1cc(CNC(=O)c2nc3c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n(C)c3o2)ccn1.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is NUXCKPUQRSIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O5/c1-27-20-16(19(30)28(21(27)31)10-12-3-4-13(22)14(23)7-12)26-18(33-20)17(29)25-9-11-5-6-24-15(8-11)32-2/h3-8H,9-10H2,1-2H3,(H,25,29).
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide?
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 457.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]oxazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 10479234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).