N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

C29H32N6O5 — CID 22225231

IUPACN-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3c(=O)ccc4c(C)nc(NCCN5CCOCC5)nc43)cc2)cc1OC
InChIInChI=1S/C29H32N6O5/c1-19-23-9-11-26(36)35(27(23)33-29(31-19)30-12-13-34-14-16-40-17-15-34)22-7-4-20(5-8-22)28(37)32-21-6-10-24(38-2)25(18-21)39-3/h4-11,18H,12-17H2,1-3H3,(H,32,37)(H,30,31,33)
InChIKeyZINGHNCPVWOMJI-UHFFFAOYSA-N
MW544.61 g/mol
LogP3.10
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (PubChem CID 22225231) has the molecular formula C29H32N6O5 and a molecular weight of 544.61 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
PubChem CID22225231
Molecular FormulaC29H32N6O5
Molecular Weight544.61 g/mol
Exact Mass544.24
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3c(=O)ccc4c(C)nc(NCCN5CCOCC5)nc43)cc2)cc1OC
InChIInChI=1S/C29H32N6O5/c1-19-23-9-11-26(36)35(27(23)33-29(31-19)30-12-13-34-14-16-40-17-15-34)22-7-4-20(5-8-22)28(37)32-21-6-10-24(38-2)25(18-21)39-3/h4-11,18H,12-17H2,1-3H3,(H,32,37)(H,30,31,33)
InChIKeyZINGHNCPVWOMJI-UHFFFAOYSA-N
XLogP3.10
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225133
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-(3,4-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344511
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 36842250
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325276
4-[2-[4-(2-amino-2-oxoethyl)phenoxy]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 22225225
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
5-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-[2-[4-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 54426454
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (CID 22225231) is N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is COc1ccc(NC(=O)c2ccc(-n3c(=O)ccc4c(C)nc(NCCN5CCOCC5)nc43)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The InChIKey is ZINGHNCPVWOMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O5/c1-19-23-9-11-26(36)35(27(23)33-29(31-19)30-12-13-34-14-16-40-17-15-34)22-7-4-20(5-8-22)28(37)32-21-6-10-24(38-2)25(18-21)39-3/h4-11,18H,12-17H2,1-3H3,(H,32,37)(H,30,31,33).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide has a molecular weight of 544.61 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is sourced from PubChem (CID 22225231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).