N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C20H22N4O3 — CID 131947886

IUPACN-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C20H22N4O3/c25-19(18-8-7-16(27-18)14-23-10-3-4-11-23)21-9-12-24-20(26)17-6-2-1-5-15(17)13-22-24/h1-2,5-8,13H,3-4,9-12,14H2,(H,21,25)
InChIKeyQTMGGBVUOWUTFR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 131947886) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID131947886
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCCn1ncc2ccccc2c1=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C20H22N4O3/c25-19(18-8-7-16(27-18)14-23-10-3-4-11-23)21-9-12-24-20(26)17-6-2-1-5-15(17)13-22-24/h1-2,5-8,13H,3-4,9-12,14H2,(H,21,25)
InChIKeyQTMGGBVUOWUTFR-UHFFFAOYSA-N
XLogP2.02
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-oxophthalazin-2-yl)methyl]furan-2-carbohydrazide
CID 63571683
4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide
CID 166386699
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414095
2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 155498652
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155503014
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 131947886) is N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is O=C(NCCn1ncc2ccccc2c1=O)c1ccc(CN2CCCC2)o1.
What is the InChIKey of N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is QTMGGBVUOWUTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-19(18-8-7-16(27-18)14-23-10-3-4-11-23)21-9-12-24-20(26)17-6-2-1-5-15(17)13-22-24/h1-2,5-8,13H,3-4,9-12,14H2,(H,21,25).
What are the key properties of N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxophthalazin-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131947886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).