N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

C20H21N3O2 — CID 95551290

IUPACN-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1ccnc([C@H](NC(=O)C(=O)N2CCc3ccccc32)C2CC2)c1
InChIInChI=1S/C20H21N3O2/c1-13-8-10-21-16(12-13)18(15-6-7-15)22-19(24)20(25)23-11-9-14-4-2-3-5-17(14)23/h2-5,8,10,12,15,18H,6-7,9,11H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyXEMHWSIRAJDZHG-GOSISDBHSA-N
MW335.41 g/mol
LogP2.55
Rot. Bonds3

About N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 95551290) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID95551290
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1ccnc([C@H](NC(=O)C(=O)N2CCc3ccccc32)C2CC2)c1
InChIInChI=1S/C20H21N3O2/c1-13-8-10-21-16(12-13)18(15-6-7-15)22-19(24)20(25)23-11-9-14-4-2-3-5-17(14)23/h2-5,8,10,12,15,18H,6-7,9,11H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyXEMHWSIRAJDZHG-GOSISDBHSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxoacetamide
CID 95557593
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122565470
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 125442656
1-cyclohexyl-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 97204702
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide
CID 99953701
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 99938331
N-(1-hydroxypropan-2-yl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 110910414
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77084354

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 95551290) is N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is Cc1ccnc([C@H](NC(=O)C(=O)N2CCc3ccccc32)C2CC2)c1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is XEMHWSIRAJDZHG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-8-10-21-16(12-13)18(15-6-7-15)22-19(24)20(25)23-11-9-14-4-2-3-5-17(14)23/h2-5,8,10,12,15,18H,6-7,9,11H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 95551290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).