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

C24H23F2N5O4 — CID 122474382

IUPAC5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(C(=O)NC)nc3)cc21
InChIInChI=1S/C24H23F2N5O4/c1-5-30-17-8-16(13-6-7-15(28-10-13)23(32)27-2)29-11-14(17)12-31(24(30)33)22-20(25)18(34-3)9-19(35-4)21(22)26/h6-11H,5,12H2,1-4H3,(H,27,32)
InChIKeySXYPKQVLGCLPPO-UHFFFAOYSA-N
MW483.48 g/mol
LogP3.77
Rot. Bonds6

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

5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide (PubChem CID 122474382) has the molecular formula C24H23F2N5O4 and a molecular weight of 483.48 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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide
PubChem CID122474382
Molecular FormulaC24H23F2N5O4
Molecular Weight483.48 g/mol
Exact Mass483.17
IUPAC Name5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(C(=O)NC)nc3)cc21
InChIInChI=1S/C24H23F2N5O4/c1-5-30-17-8-16(13-6-7-15(28-10-13)23(32)27-2)29-11-14(17)12-31(24(30)33)22-20(25)18(34-3)9-19(35-4)21(22)26/h6-11H,5,12H2,1-4H3,(H,27,32)
InChIKeySXYPKQVLGCLPPO-UHFFFAOYSA-N
XLogP3.77
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.77
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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide (CID 122474382) is 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide is CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(C(=O)NC)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]-N-methylpyridine-2-carboxamide?
The InChIKey is SXYPKQVLGCLPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O4/c1-5-30-17-8-16(13-6-7-15(28-10-13)23(32)27-2)29-11-14(17)12-31(24(30)33)22-20(25)18(34-3)9-19(35-4)21(22)26/h6-11H,5,12H2,1-4H3,(H,27,32).
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]-N-methylpyridine-2-carboxamide?
5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 3.77, 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]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122474382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).