N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide

C16H21N5O — CID 124608268

IUPACN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn[nH]n1
InChIInChI=1S/C16H21N5O/c1-20(16(22)15-9-17-19-18-15)10-14-7-8-21(12-14)11-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-12H2,1H3,(H,17,18,19)/t14-/m1/s1
InChIKeyFSQDJJZXDFLNTN-CQSZACIVSA-N
MW299.38 g/mol
LogP1.40
Rot. Bonds5

About N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide

N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide (PubChem CID 124608268) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
PubChem CID124608268
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn[nH]n1
InChIInChI=1S/C16H21N5O/c1-20(16(22)15-9-17-19-18-15)10-14-7-8-21(12-14)11-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-12H2,1H3,(H,17,18,19)/t14-/m1/s1
InChIKeyFSQDJJZXDFLNTN-CQSZACIVSA-N
XLogP1.40
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-chloro-N-methylpyrimidine-4-carboxamide
CID 124609847
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119884957
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97147365
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-[(1-benzylpyrrolidin-3-yl)methyl]-N,1,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119039115

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide (CID 124608268) is N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide is CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cn[nH]n1.
What is the InChIKey of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is FSQDJJZXDFLNTN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(16(22)15-9-17-19-18-15)10-14-7-8-21(12-14)11-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-12H2,1H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide?
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 124608268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).