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

C20H18N4O2 — CID 109356545

IUPAC6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ncn2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-16-8-6-15(7-9-16)23-20(25)17-12-19(22-13-21-17)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,23,25)
InChIKeyWJLRORGRPMZDCO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.43
Rot. Bonds4

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

6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109356545) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109356545
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ncn2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-16-8-6-15(7-9-16)23-20(25)17-12-19(22-13-21-17)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,23,25)
InChIKeyWJLRORGRPMZDCO-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109356552
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109290512
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
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)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 84574227
N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356579
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
5-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109242491
2-(2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176475
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109356545) is 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ncn2)cc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is WJLRORGRPMZDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-16-8-6-15(7-9-16)23-20(25)17-12-19(22-13-21-17)24-11-10-14-4-2-3-5-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,23,25).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).