4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide

C20H18N4O — CID 142743601

IUPAC4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc3c2N(c2ncccn2)CC3)cc1
InChIInChI=1S/C20H18N4O/c1-14-6-8-16(9-7-14)19(25)23-17-5-2-4-15-10-13-24(18(15)17)20-21-11-3-12-22-20/h2-9,11-12H,10,13H2,1H3,(H,23,25)
InChIKeyRTCWOYBVYZQPAG-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.73
Rot. Bonds3

About 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide

4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide (PubChem CID 142743601) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide
PubChem CID142743601
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc3c2N(c2ncccn2)CC3)cc1
InChIInChI=1S/C20H18N4O/c1-14-6-8-16(9-7-14)19(25)23-17-5-2-4-15-10-13-24(18(15)17)20-21-11-3-12-22-20/h2-9,11-12H,10,13H2,1H3,(H,23,25)
InChIKeyRTCWOYBVYZQPAG-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
CID 112537123
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
7-benzamido-N-tert-butyl-2,3-dihydroindole-1-carboxamide
CID 132583260
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide
CID 17429033
N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384060
N-(2,5-dimethylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384049
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
N-(4-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384044
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide (CID 142743601) is 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide is Cc1ccc(C(=O)Nc2cccc3c2N(c2ncccn2)CC3)cc1.
What is the InChIKey of 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide?
The InChIKey is RTCWOYBVYZQPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-6-8-16(9-7-14)19(25)23-17-5-2-4-15-10-13-24(18(15)17)20-21-11-3-12-22-20/h2-9,11-12H,10,13H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide?
4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrimidin-2-yl-2,3-dihydroindol-7-yl)benzamide is sourced from PubChem (CID 142743601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).