N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide

C19H19N3O3 — CID 6539742

IUPACN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2cc3c(NC(=O)C4CCCC4)ncnc3o2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-14-8-6-12(7-9-14)16-10-15-17(20-11-21-19(15)25-16)22-18(23)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22,23)
InChIKeyCFCRCCSSNULXBB-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.03
Rot. Bonds4

About N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide

N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide (PubChem CID 6539742) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide
PubChem CID6539742
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2cc3c(NC(=O)C4CCCC4)ncnc3o2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-14-8-6-12(7-9-14)16-10-15-17(20-11-21-19(15)25-16)22-18(23)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22,23)
InChIKeyCFCRCCSSNULXBB-UHFFFAOYSA-N
XLogP4.03
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide (CID 6539742) is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide is COc1ccc(-c2cc3c(NC(=O)C4CCCC4)ncnc3o2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide?
The InChIKey is CFCRCCSSNULXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-14-8-6-12(7-9-14)16-10-15-17(20-11-21-19(15)25-16)22-18(23)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22,23).
What are the key properties of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide?
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 6539742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).