5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide

C20H23N3O2 — CID 51597036

IUPAC5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)c(C)c(C(=O)N[C@H](C)Cc1ccccn1)n2C
InChIInChI=1S/C20H23N3O2/c1-13(11-15-7-5-6-10-21-15)22-20(24)19-14(2)17-12-16(25-4)8-9-18(17)23(19)3/h5-10,12-13H,11H2,1-4H3,(H,22,24)/t13-/m1/s1
InChIKeyPCQXFIDLJXVXMP-CYBMUJFWSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds5

About 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide

5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide (PubChem CID 51597036) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide
PubChem CID51597036
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)c(C)c(C(=O)N[C@H](C)Cc1ccccn1)n2C
InChIInChI=1S/C20H23N3O2/c1-13(11-15-7-5-6-10-21-15)22-20(24)19-14(2)17-12-16(25-4)8-9-18(17)23(19)3/h5-10,12-13H,11H2,1-4H3,(H,22,24)/t13-/m1/s1
InChIKeyPCQXFIDLJXVXMP-CYBMUJFWSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 51597055
5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
CID 97130600
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42101315
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
CID 122394146
6-[5-methoxy-2-(4-methoxyphenyl)-3-methylindol-1-yl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 14873569
6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
CID 92582134
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627363
2-hydroxy-1-(4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 132915461
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide?
The IUPAC name of 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide (CID 51597036) is 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide is COc1ccc2c(c1)c(C)c(C(=O)N[C@H](C)Cc1ccccn1)n2C.
What is the InChIKey of 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide?
The InChIKey is PCQXFIDLJXVXMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(11-15-7-5-6-10-21-15)22-20(24)19-14(2)17-12-16(25-4)8-9-18(17)23(19)3/h5-10,12-13H,11H2,1-4H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide?
5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 51597036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).