N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide

C21H14F2N4O2 — CID 134808652

IUPACN-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C21H14F2N4O2/c1-12(28)25-15-4-2-3-13(9-15)17-6-7-18-20(26-17)21(29)27(11-24-18)19-8-5-14(22)10-16(19)23/h2-11H,1H3,(H,25,28)
InChIKeyNTGVLTLOHWSUPE-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.68
Rot. Bonds3

About N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide

N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide (PubChem CID 134808652) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
PubChem CID134808652
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC NameN-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C21H14F2N4O2/c1-12(28)25-15-4-2-3-13(9-15)17-6-7-18-20(26-17)21(29)27(11-24-18)19-8-5-14(22)10-16(19)23/h2-11H,1H3,(H,25,28)
InChIKeyNTGVLTLOHWSUPE-UHFFFAOYSA-N
XLogP3.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide with MolForge

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Related Compounds

N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide
CID 45272745
3-amino-N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 46179019
3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 59226498
6-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 50925456
(3R)-3-amino-1-[4-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70690893
3-amino-N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 59226438
2-methyl-1-[3-(3-oxopiperazin-1-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89944754
US10065972, Example 706
CID 124153404
US10065972, Example 707
CID 124154887
US10065972, Example 713
CID 136214121
3-(2-Methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
CID 134805614
N~1~-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-N~1~-(2-pyridin-2-ylethyl)-beta-alaninamide
CID 3240027

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide (CID 134808652) is N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1.
What is the InChIKey of N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide?
The InChIKey is NTGVLTLOHWSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c1-12(28)25-15-4-2-3-13(9-15)17-6-7-18-20(26-17)21(29)27(11-24-18)19-8-5-14(22)10-16(19)23/h2-11H,1H3,(H,25,28).
What are the key properties of N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide?
N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide has a molecular weight of 392.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,4-difluorophenyl)-4-oxopyrido[3,2-d]pyrimidin-6-yl]phenyl]acetamide is sourced from PubChem (CID 134808652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).