N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H23N5O — CID 70706449

IUPACN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)CCn1cncn1
InChIInChI=1S/C17H23N5O/c1-20(17(23)8-10-22-14-18-13-19-22)11-15-7-9-21(12-15)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3
InChIKeyOUSHYUQLAZOMBT-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.65
Rot. Bonds6

About N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 70706449) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID70706449
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)CCn1cncn1
InChIInChI=1S/C17H23N5O/c1-20(17(23)8-10-22-14-18-13-19-22)11-15-7-9-21(12-15)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3
InChIKeyOUSHYUQLAZOMBT-UHFFFAOYSA-N
XLogP1.65
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70778946
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565
N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97191208
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 45191583
N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 70765652
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 62334205
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 131937224

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 70706449) is N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is CN(CC1CCN(c2ccccc2)C1)C(=O)CCn1cncn1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OUSHYUQLAZOMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(17(23)8-10-22-14-18-13-19-22)11-15-7-9-21(12-15)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 70706449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).