N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

C22H20N4O2 — CID 109270109

IUPACN-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(N3c4ccccc4CC3C)nc2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-11-17-5-3-4-6-20(17)26(14)22-23-12-18(13-24-22)21(28)25-19-9-7-16(8-10-19)15(2)27/h3-10,12-14H,11H2,1-2H3,(H,25,28)
InChIKeyOCPDIUHWXVKEGW-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.01
Rot. Bonds4

About N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (PubChem CID 109270109) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
PubChem CID109270109
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(N3c4ccccc4CC3C)nc2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-11-17-5-3-4-6-20(17)26(14)22-23-12-18(13-24-22)21(28)25-19-9-7-16(8-10-19)15(2)27/h3-10,12-14H,11H2,1-2H3,(H,25,28)
InChIKeyOCPDIUHWXVKEGW-UHFFFAOYSA-N
XLogP4.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270592
N-(4-acetylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109337849
N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109267191
N-[4-(dimethylamino)phenyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109164685
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164303
N-(4-fluorophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109244279
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109269354
azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264936
4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113022083
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514855
methyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109178653

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (CID 109270109) is N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(N3c4ccccc4CC3C)nc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is OCPDIUHWXVKEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-11-17-5-3-4-6-20(17)26(14)22-23-12-18(13-24-22)21(28)25-19-9-7-16(8-10-19)15(2)27/h3-10,12-14H,11H2,1-2H3,(H,25,28).
What are the key properties of N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).