1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide

C22H19N5O2 — CID 142797816

IUPAC1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c(C3=NC(NCc4ccccc4)=C4COC=C4N3)[nH]cc12
InChIInChI=1S/C22H19N5O2/c23-20(28)15-8-4-7-14-16(15)10-24-19(14)22-26-18-12-29-11-17(18)21(27-22)25-9-13-5-2-1-3-6-13/h1-8,10,12,24-25H,9,11H2,(H2,23,28)(H,26,27)
InChIKeyHXBVOEIXGLNDFM-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide

1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide (PubChem CID 142797816) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide
PubChem CID142797816
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c(C3=NC(NCc4ccccc4)=C4COC=C4N3)[nH]cc12
InChIInChI=1S/C22H19N5O2/c23-20(28)15-8-4-7-14-16(15)10-24-19(14)22-26-18-12-29-11-17(18)21(27-22)25-9-13-5-2-1-3-6-13/h1-8,10,12,24-25H,9,11H2,(H2,23,28)(H,26,27)
InChIKeyHXBVOEIXGLNDFM-UHFFFAOYSA-N
XLogP2.49
TPSA104.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide (CID 142797816) is 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide is NC(=O)c1cccc2c(C3=NC(NCc4ccccc4)=C4COC=C4N3)[nH]cc12.
What is the InChIKey of 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide?
The InChIKey is HXBVOEIXGLNDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c23-20(28)15-8-4-7-14-16(15)10-24-19(14)22-26-18-12-29-11-17(18)21(27-22)25-9-13-5-2-1-3-6-13/h1-8,10,12,24-25H,9,11H2,(H2,23,28)(H,26,27).
What are the key properties of 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide?
1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-1,5-dihydrofuro[3,4-d]pyrimidin-2-yl]-2H-isoindole-4-carboxamide is sourced from PubChem (CID 142797816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).