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

C21H18N4O2 — CID 109314422

IUPACN-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)16-6-4-7-17(13-16)23-20(27)18-9-11-22-21(24-18)25-12-10-15-5-2-3-8-19(15)25/h2-9,11,13H,10,12H2,1H3,(H,23,27)
InChIKeyYRWHLWLWROCOFF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.63
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109314422) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109314422
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)16-6-4-7-17(13-16)23-20(27)18-9-11-22-21(24-18)25-12-10-15-5-2-3-8-19(15)25/h2-9,11,13H,10,12H2,1H3,(H,23,27)
InChIKeyYRWHLWLWROCOFF-UHFFFAOYSA-N
XLogP3.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308059
2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314412
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
N-(3-acetylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242503
2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
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
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109305878
6-(2,3-dihydroindol-1-yl)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 84574227

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109314422) is N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(N3CCc4ccccc43)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is YRWHLWLWROCOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)16-6-4-7-17(13-16)23-20(27)18-9-11-22-21(24-18)25-12-10-15-5-2-3-8-19(15)25/h2-9,11,13H,10,12H2,1H3,(H,23,27).
What are the key properties of N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).