N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C19H21N3O — CID 94347341

IUPACN-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCc1cn(CC(=O)N(C)[C@@H](C)c2ccncc2)c2ccccc12
InChIInChI=1S/C19H21N3O/c1-14-12-22(18-7-5-4-6-17(14)18)13-19(23)21(3)15(2)16-8-10-20-11-9-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyUQFRWRCPSIZRHD-HNNXBMFYSA-N
MW307.40 g/mol
LogP3.56
Rot. Bonds4

About N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 94347341) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID94347341
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCc1cn(CC(=O)N(C)[C@@H](C)c2ccncc2)c2ccccc12
InChIInChI=1S/C19H21N3O/c1-14-12-22(18-7-5-4-6-17(14)18)13-19(23)21(3)15(2)16-8-10-20-11-9-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1
InChIKeyUQFRWRCPSIZRHD-HNNXBMFYSA-N
XLogP3.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 97314243
N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 86829861
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
(2R)-N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
CID 94388505
N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
CID 49488611
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 60571275
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 97117053
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 46668807
2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide
CID 49495931
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 94815036

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 94347341) is N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is Cc1cn(CC(=O)N(C)[C@@H](C)c2ccncc2)c2ccccc12.
What is the InChIKey of N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is UQFRWRCPSIZRHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-12-22(18-7-5-4-6-17(14)18)13-19(23)21(3)15(2)16-8-10-20-11-9-16/h4-12,15H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 94347341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).