6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide

C21H20N4O3 — CID 109356552

IUPAC6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ncn2)c(OC)c1
InChIInChI=1S/C21H20N4O3/c1-27-15-7-8-16(19(11-15)28-2)24-21(26)17-12-20(23-13-22-17)25-10-9-14-5-3-4-6-18(14)25/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)
InChIKeyQWKIDAHWVADFPL-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.44
Rot. Bonds5

About 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide

6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109356552) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109356552
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ncn2)c(OC)c1
InChIInChI=1S/C21H20N4O3/c1-27-15-7-8-16(19(11-15)28-2)24-21(26)17-12-20(23-13-22-17)25-10-9-14-5-3-4-6-18(14)25/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)
InChIKeyQWKIDAHWVADFPL-UHFFFAOYSA-N
XLogP3.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109176550
N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356579
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953
6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109197827
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356572
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109162425
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
N-(2,4-dimethoxyphenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338769

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide (CID 109356552) is 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ncn2)c(OC)c1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is QWKIDAHWVADFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-15-7-8-16(19(11-15)28-2)24-21(26)17-12-20(23-13-22-17)25-10-9-14-5-3-4-6-18(14)25/h3-8,11-13H,9-10H2,1-2H3,(H,24,26).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).