3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

C24H22N4O2 — CID 126463783

IUPAC3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC1Cc2cc(-c3cncnc3)ccc2O1
InChIInChI=1S/C24H22N4O2/c29-24(8-6-17-13-27-22-4-2-1-3-21(17)22)28-14-20-10-18-9-16(5-7-23(18)30-20)19-11-25-15-26-12-19/h1-5,7,9,11-13,15,20,27H,6,8,10,14H2,(H,28,29)
InChIKeyUYJHZXHCQOWYFC-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.68
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide

3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide (PubChem CID 126463783) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
PubChem CID126463783
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC1Cc2cc(-c3cncnc3)ccc2O1
InChIInChI=1S/C24H22N4O2/c29-24(8-6-17-13-27-22-4-2-1-3-21(17)22)28-14-20-10-18-9-16(5-7-23(18)30-20)19-11-25-15-26-12-19/h1-5,7,9,11-13,15,20,27H,6,8,10,14H2,(H,28,29)
InChIKeyUYJHZXHCQOWYFC-UHFFFAOYSA-N
XLogP3.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
N-[[(2R)-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42212547
N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide
CID 126463492
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 51212011
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008252
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 35053989
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
CID 45169660

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide (CID 126463783) is 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCC1Cc2cc(-c3cncnc3)ccc2O1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?
The InChIKey is UYJHZXHCQOWYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(8-6-17-13-27-22-4-2-1-3-21(17)22)28-14-20-10-18-9-16(5-7-23(18)30-20)19-11-25-15-26-12-19/h1-5,7,9,11-13,15,20,27H,6,8,10,14H2,(H,28,29).
What are the key properties of 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide?
3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide has a molecular weight of 398.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide is sourced from PubChem (CID 126463783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).