3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide

C24H23N5O2 — CID 164756372

IUPAC3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4cccc(C)c4)ccc3C)n(C)c(=O)c2n1
InChIInChI=1S/C24H23N5O2/c1-14-6-5-7-16(10-14)22(30)27-18-9-8-15(2)19(12-18)20-11-17-13-26-24(25-3)28-21(17)23(31)29(20)4/h5-13H,1-4H3,(H,27,30)(H,25,26,28)
InChIKeyPZOWIECEDITRCW-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.91
Rot. Bonds4

About 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide

3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide (PubChem CID 164756372) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide
PubChem CID164756372
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide
SMILESCNc1ncc2cc(-c3cc(NC(=O)c4cccc(C)c4)ccc3C)n(C)c(=O)c2n1
InChIInChI=1S/C24H23N5O2/c1-14-6-5-7-16(10-14)22(30)27-18-9-8-15(2)19(12-18)20-11-17-13-26-24(25-3)28-21(17)23(31)29(20)4/h5-13H,1-4H3,(H,27,30)(H,25,26,28)
InChIKeyPZOWIECEDITRCW-UHFFFAOYSA-N
XLogP3.91
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide with MolForge

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Related Compounds

N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158809590
N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide
CID 159598784
1-(2,3-dichlorophenyl)-3-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]urea
CID 154686718
N-[3-[7-(2-aminoethyl)-1-(2-hydroxyethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-methylbenzamide
CID 24956692
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide
CID 71067020
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
CID 145409289
N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 58829995
N-[3-(2,8-dimethyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;methanamine
CID 143161554
N-[3-(2-chloro-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59723641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide (CID 164756372) is 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide is CNc1ncc2cc(-c3cc(NC(=O)c4cccc(C)c4)ccc3C)n(C)c(=O)c2n1.
What is the InChIKey of 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide?
The InChIKey is PZOWIECEDITRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-6-5-7-16(10-14)22(30)27-18-9-8-15(2)19(12-18)20-11-17-13-26-24(25-3)28-21(17)23(31)29(20)4/h5-13H,1-4H3,(H,27,30)(H,25,26,28).
What are the key properties of 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide?
3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide is sourced from PubChem (CID 164756372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).