2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

C21H20N4O2 — CID 109314412

IUPAC2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-2-27-17-9-7-16(8-10-17)23-20(26)18-11-13-22-21(24-18)25-14-12-15-5-3-4-6-19(15)25/h3-11,13H,2,12,14H2,1H3,(H,23,26)
InChIKeyRCAQSMZNQYJAQA-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.82
Rot. Bonds5

About 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109314412) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109314412
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(N3CCc4ccccc43)n2)cc1
InChIInChI=1S/C21H20N4O2/c1-2-27-17-9-7-16(8-10-17)23-20(26)18-11-13-22-21(24-18)25-14-12-15-5-3-4-6-19(15)25/h3-11,13H,2,12,14H2,1H3,(H,23,26)
InChIKeyRCAQSMZNQYJAQA-UHFFFAOYSA-N
XLogP3.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109314422
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109290660
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109305878
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307644
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313707
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109314579
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109314412) is 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(N3CCc4ccccc43)n2)cc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is RCAQSMZNQYJAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-27-17-9-7-16(8-10-17)23-20(26)18-11-13-22-21(24-18)25-14-12-15-5-3-4-6-19(15)25/h3-11,13H,2,12,14H2,1H3,(H,23,26).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).