2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide

C26H23N5O4 — CID 15944874

IUPAC2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)n(CCc2c[nH]c3ccccc23)c(=O)c2cccnc21
InChIInChI=1S/C26H23N5O4/c1-35-22-11-5-4-10-21(22)29-23(32)16-31-24-19(8-6-13-27-24)25(33)30(26(31)34)14-12-17-15-28-20-9-3-2-7-18(17)20/h2-11,13,15,28H,12,14,16H2,1H3,(H,29,32)
InChIKeyKRBJKCDCBFFGBZ-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.93
Rot. Bonds7

About 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 15944874) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID15944874
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)n(CCc2c[nH]c3ccccc23)c(=O)c2cccnc21
InChIInChI=1S/C26H23N5O4/c1-35-22-11-5-4-10-21(22)29-23(32)16-31-24-19(8-6-13-27-24)25(33)30(26(31)34)14-12-17-15-28-20-9-3-2-7-18(17)20/h2-11,13,15,28H,12,14,16H2,1H3,(H,29,32)
InChIKeyKRBJKCDCBFFGBZ-UHFFFAOYSA-N
XLogP2.93
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Atevirdine
CID 60848
2-{[2-({1-[2-(dimethylamino)acetyl]-6-methoxy-1,2,3,4-tetrahydroquinolin-7-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218590
4-fluoro-2-[(2-{[2-methoxy-4-(1-propylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
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1-[7-(5-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280149
1-[7-(6-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280166
1-[7-(6-amino-2-pyridyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280184
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[5-(methylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280219
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(5-methoxy-1H-indol-3-yl)-5-methyl-
CID 466844
1H-indol-2-yl-[4-(3-isopropoxy-2-pyridyl)piperazin-1-yl]methanone
CID 468307
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
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3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)picolinamide
CID 44581247
2-{[2-({5-[2-(dimethylamino)-N-methylacetamido]-2-methoxyphenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
CID 25218572

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 15944874) is 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(=O)n(CCc2c[nH]c3ccccc23)c(=O)c2cccnc21.
What is the InChIKey of 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is KRBJKCDCBFFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-35-22-11-5-4-10-21(22)29-23(32)16-31-24-19(8-6-13-27-24)25(33)30(26(31)34)14-12-17-15-28-20-9-3-2-7-18(17)20/h2-11,13,15,28H,12,14,16H2,1H3,(H,29,32).
What are the key properties of 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 469.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 15944874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).