N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide

C20H18N4O — CID 24834345

IUPACN-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H18N4O/c1-23(19(25)16-8-3-2-4-9-16)18-11-13-21-20(22-18)24-14-12-15-7-5-6-10-17(15)24/h2-11,13H,12,14H2,1H3
InChIKeyAXXDULSOBGZPNQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.45
Rot. Bonds3

About N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide

N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide (PubChem CID 24834345) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide
PubChem CID24834345
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H18N4O/c1-23(19(25)16-8-3-2-4-9-16)18-11-13-21-20(22-18)24-14-12-15-7-5-6-10-17(15)24/h2-11,13H,12,14H2,1H3
InChIKeyAXXDULSOBGZPNQ-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265866
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
1-(4-pyridin-2-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493686
N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109314422
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide (CID 24834345) is N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1ccnc(N2CCc3ccccc32)n1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide?
The InChIKey is AXXDULSOBGZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-23(19(25)16-8-3-2-4-9-16)18-11-13-21-20(22-18)24-14-12-15-7-5-6-10-17(15)24/h2-11,13H,12,14H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide?
N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide has a molecular weight of 330.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 24834345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).