6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide

C23H21N5O — CID 109352252

IUPAC6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C23H21N5O/c29-23(24-11-9-17-14-25-19-7-3-2-6-18(17)19)20-13-22(27-15-26-20)28-12-10-16-5-1-4-8-21(16)28/h1-8,13-15,25H,9-12H2,(H,24,29)
InChIKeyJHKJQEZGJHWPNW-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.62
Rot. Bonds5

About 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide

6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109352252) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID109352252
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C23H21N5O/c29-23(24-11-9-17-14-25-19-7-3-2-6-18(17)19)20-13-22(27-15-26-20)28-12-10-16-5-1-4-8-21(16)28/h1-8,13-15,25H,9-12H2,(H,24,29)
InChIKeyJHKJQEZGJHWPNW-UHFFFAOYSA-N
XLogP3.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352258
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109208888
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349573
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352254
N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109352281
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (CID 109352252) is 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCc3ccccc32)ncn1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is JHKJQEZGJHWPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(24-11-9-17-14-25-19-7-3-2-6-18(17)19)20-13-22(27-15-26-20)28-12-10-16-5-1-4-8-21(16)28/h1-8,13-15,25H,9-12H2,(H,24,29).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).