5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide

C23H21F2N5O4 — CID 122474128

IUPAC5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(C(N)=O)nc3)cc21
InChIInChI=1S/C23H21F2N5O4/c1-4-29-16-7-15(12-5-6-14(22(26)31)27-9-12)28-10-13(16)11-30(23(29)32)21-19(24)17(33-2)8-18(34-3)20(21)25/h5-10H,4,11H2,1-3H3,(H2,26,31)
InChIKeyTTYQNCYSDJEQOW-UHFFFAOYSA-N
MW469.45 g/mol
LogP3.50
Rot. Bonds6

About 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide

5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide (PubChem CID 122474128) has the molecular formula C23H21F2N5O4 and a molecular weight of 469.45 g/mol. Its IUPAC name is 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
PubChem CID122474128
Molecular FormulaC23H21F2N5O4
Molecular Weight469.45 g/mol
Exact Mass469.16
IUPAC Name5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(C(N)=O)nc3)cc21
InChIInChI=1S/C23H21F2N5O4/c1-4-29-16-7-15(12-5-6-14(22(26)31)27-9-12)28-10-13(16)11-30(23(29)32)21-19(24)17(33-2)8-18(34-3)20(21)25/h5-10H,4,11H2,1-3H3,(H2,26,31)
InChIKeyTTYQNCYSDJEQOW-UHFFFAOYSA-N
XLogP3.50
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide (CID 122474128) is 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide is CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(C(N)=O)nc3)cc21.
What is the InChIKey of 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
The InChIKey is TTYQNCYSDJEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O4/c1-4-29-16-7-15(12-5-6-14(22(26)31)27-9-12)28-10-13(16)11-30(23(29)32)21-19(24)17(33-2)8-18(34-3)20(21)25/h5-10H,4,11H2,1-3H3,(H2,26,31).
What are the key properties of 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?
5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide has a molecular weight of 469.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122474128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).