N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide

C21H25N3O — CID 97113366

IUPACN,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
SMILESCC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C21H25N3O/c1-6-18(16-8-7-9-22-12-16)24(5)21(25)20-15(4)17-11-13(2)10-14(3)19(17)23-20/h7-12,18,23H,6H2,1-5H3/t18-/m0/s1
InChIKeyQZILXEACQZFXAB-SFHVURJKSA-N
MW335.45 g/mol
LogP4.71
Rot. Bonds4

About N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide

N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide (PubChem CID 97113366) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
PubChem CID97113366
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
SMILESCC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C21H25N3O/c1-6-18(16-8-7-9-22-12-16)24(5)21(25)20-15(4)17-11-13(2)10-14(3)19(17)23-20/h7-12,18,23H,6H2,1-5H3/t18-/m0/s1
InChIKeyQZILXEACQZFXAB-SFHVURJKSA-N
XLogP4.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-[(1R)-1-pyridin-3-ylpropyl]benzamide
CID 125155931
N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide
CID 74230073
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
CID 77084067
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
3-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-1-[(1R)-1-pyridin-3-ylpropyl]urea
CID 126434780
N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide
CID 97115377
N-[(2R)-2-hydroxy-2-pyridin-2-ylethyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 97126647
1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
CID 118763854
1-amino-N-methyl-N-(1-pyridin-3-ylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 154912060
1-methyl-1-(1-pyridin-3-ylpropyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 119059626
N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[(1R)-1-pyridin-3-ylpropyl]acetamide
CID 126454196
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 95225196

Frequently Asked Questions

What is the IUPAC name of N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide?
The IUPAC name of N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide (CID 97113366) is N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide is CC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2c(C)cc(C)cc2c1C.
What is the InChIKey of N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide?
The InChIKey is QZILXEACQZFXAB-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O/c1-6-18(16-8-7-9-22-12-16)24(5)21(25)20-15(4)17-11-13(2)10-14(3)19(17)23-20/h7-12,18,23H,6H2,1-5H3/t18-/m0/s1.
What are the key properties of N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide?
N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 97113366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).