N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide

C22H27N5O5 — CID 77211542

IUPACN-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)CNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H27N5O5/c1-13(25-19(28)11-30-3)10-23-21-20-16(24-12-27(2)22(20)29)9-15(26-21)14-6-7-17(31-4)18(8-14)32-5/h6-9,12-13H,10-11H2,1-5H3,(H,23,26)(H,25,28)
InChIKeyUPCGSUMVCYPBGW-UHFFFAOYSA-N
MW441.49 g/mol
LogP1.58
Rot. Bonds9

About N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide

N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide (PubChem CID 77211542) has the molecular formula C22H27N5O5 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide
PubChem CID77211542
Molecular FormulaC22H27N5O5
Molecular Weight441.49 g/mol
Exact Mass441.20
IUPAC NameN-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)CNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H27N5O5/c1-13(25-19(28)11-30-3)10-23-21-20-16(24-12-27(2)22(20)29)9-15(26-21)14-6-7-17(31-4)18(8-14)32-5/h6-9,12-13H,10-11H2,1-5H3,(H,23,26)(H,25,28)
InChIKeyUPCGSUMVCYPBGW-UHFFFAOYSA-N
XLogP1.58
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58092930
7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 58093197
7-(3,4-dimethoxyphenyl)-5-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58093032
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 58092941
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 58093129
7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923838
7-(3-chloro-4-methoxyphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
CID 58092902
7-(3,4-dimethoxyphenyl)-3-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66891408
N-(cyclopropylmethyl)-2-methoxy-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-7-yl]benzamide
CID 58093010
3-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propanamide;3-methyl-5-(pyridin-4-ylmethylamino)-7-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66889182
7-[4-[[(2R)-2-hydroxypropyl]amino]-3-methylsulfonylphenyl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959337
7-[4-(methoxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959304

Frequently Asked Questions

What is the IUPAC name of N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide (CID 77211542) is N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide is COCC(=O)NC(C)CNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?
The InChIKey is UPCGSUMVCYPBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5/c1-13(25-19(28)11-30-3)10-23-21-20-16(24-12-27(2)22(20)29)9-15(26-21)14-6-7-17(31-4)18(8-14)32-5/h6-9,12-13H,10-11H2,1-5H3,(H,23,26)(H,25,28).
What are the key properties of N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide?
N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide has a molecular weight of 441.49 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 77211542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).