2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide

C26H29N5O5 — CID 11584027

IUPAC2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C26H29N5O5/c1-4-12-30-21-14-20(29-24(21)25(33)31(13-5-2)26(30)34)17-6-9-19(10-7-17)36-16-22(32)28-18-8-11-23(35-3)27-15-18/h6-11,14-15,29H,4-5,12-13,16H2,1-3H3,(H,28,32)
InChIKeyPFFCZHNKBAGBLM-UHFFFAOYSA-N
MW491.55 g/mol
LogP3.40
Rot. Bonds10

About 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide

2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 11584027) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID11584027
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C26H29N5O5/c1-4-12-30-21-14-20(29-24(21)25(33)31(13-5-2)26(30)34)17-6-9-19(10-7-17)36-16-22(32)28-18-8-11-23(35-3)27-15-18/h6-11,14-15,29H,4-5,12-13,16H2,1-3H3,(H,28,32)
InChIKeyPFFCZHNKBAGBLM-UHFFFAOYSA-N
XLogP3.40
TPSA120.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide (CID 11584027) is 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide is CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(OC)nc4)cc3)cc2n(CCC)c1=O.
What is the InChIKey of 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is PFFCZHNKBAGBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-4-12-30-21-14-20(29-24(21)25(33)31(13-5-2)26(30)34)17-6-9-19(10-7-17)36-16-22(32)28-18-8-11-23(35-3)27-15-18/h6-11,14-15,29H,4-5,12-13,16H2,1-3H3,(H,28,32).
What are the key properties of 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide?
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 491.55 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 11584027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).