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

C25H25F2N5O4 — CID 122474073

IUPAC5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc3c(cn2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N3CC)cn1
InChIInChI=1S/C25H25F2N5O4/c1-5-28-24(33)16-8-7-14(11-29-16)17-9-18-15(12-30-17)13-32(25(34)31(18)6-2)23-21(26)19(35-3)10-20(36-4)22(23)27/h7-12H,5-6,13H2,1-4H3,(H,28,33)
InChIKeyWMPPZNABOWRROF-UHFFFAOYSA-N
MW497.50 g/mol
LogP4.16
Rot. Bonds7

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

5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 122474073) has the molecular formula C25H25F2N5O4 and a molecular weight of 497.50 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-ethylpyridine-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-ethylpyridine-2-carboxamide
PubChem CID122474073
Molecular FormulaC25H25F2N5O4
Molecular Weight497.50 g/mol
Exact Mass497.19
IUPAC Name5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc3c(cn2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N3CC)cn1
InChIInChI=1S/C25H25F2N5O4/c1-5-28-24(33)16-8-7-14(11-29-16)17-9-18-15(12-30-17)13-32(25(34)31(18)6-2)23-21(26)19(35-3)10-20(36-4)22(23)27/h7-12H,5-6,13H2,1-4H3,(H,28,33)
InChIKeyWMPPZNABOWRROF-UHFFFAOYSA-N
XLogP4.16
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 54.16
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-ethylpyridine-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-ethylpyridine-2-carboxamide (CID 122474073) is 5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-ethylpyridine-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-ethylpyridine-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-ethylpyridine-2-carboxamide is CCNC(=O)c1ccc(-c2cc3c(cn2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)N3CC)cn1.
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-ethylpyridine-2-carboxamide?
The InChIKey is WMPPZNABOWRROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4/c1-5-28-24(33)16-8-7-14(11-29-16)17-9-18-15(12-30-17)13-32(25(34)31(18)6-2)23-21(26)19(35-3)10-20(36-4)22(23)27/h7-12H,5-6,13H2,1-4H3,(H,28,33).
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-ethylpyridine-2-carboxamide?
5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 4.16, 7 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-ethylpyridine-2-carboxamide is sourced from PubChem (CID 122474073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).