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

C26H27N5O5 — CID 22225133

IUPACN-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCOCCNc1nc(C)c2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(OC)c(OC)c4)cc3)c2n1
InChIInChI=1S/C26H27N5O5/c1-16-20-10-12-23(32)31(24(20)30-26(28-16)27-13-14-34-2)19-8-5-17(6-9-19)25(33)29-18-7-11-21(35-3)22(15-18)36-4/h5-12,15H,13-14H2,1-4H3,(H,29,33)(H,27,28,30)
InChIKeyZYFQKMAEPLTJPG-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.42
Rot. Bonds9

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

N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (PubChem CID 22225133) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
PubChem CID22225133
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCOCCNc1nc(C)c2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(OC)c(OC)c4)cc3)c2n1
InChIInChI=1S/C26H27N5O5/c1-16-20-10-12-23(32)31(24(20)30-26(28-16)27-13-14-34-2)19-8-5-17(6-9-19)25(33)29-18-7-11-21(35-3)22(15-18)36-4/h5-12,15H,13-14H2,1-4H3,(H,29,33)(H,27,28,30)
InChIKeyZYFQKMAEPLTJPG-UHFFFAOYSA-N
XLogP3.42
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
CID 22225231
4-[2-(2-acetamidoethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[3-(dimethylaminooxy)propyl]benzamide
CID 87905542
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
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157135
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (CID 22225133) is N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is COCCNc1nc(C)c2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(OC)c(OC)c4)cc3)c2n1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The InChIKey is ZYFQKMAEPLTJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-16-20-10-12-23(32)31(24(20)30-26(28-16)27-13-14-34-2)19-8-5-17(6-9-19)25(33)29-18-7-11-21(35-3)22(15-18)36-4/h5-12,15H,13-14H2,1-4H3,(H,29,33)(H,27,28,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide has a molecular weight of 489.53 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[2-(2-methoxyethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is sourced from PubChem (CID 22225133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).