6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide

C21H24N6O2 — CID 92640653

IUPAC6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)nc1
InChIInChI=1S/C21H24N6O2/c1-25(2)21(29)15-9-10-17(22-12-15)16-6-5-11-26(13-16)20(28)14-27-19-8-4-3-7-18(19)23-24-27/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyRNAYAMINGYJRFE-INIZCTEOSA-N
MW392.46 g/mol
LogP1.93
Rot. Bonds4

About 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide

6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 92640653) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID92640653
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)nc1
InChIInChI=1S/C21H24N6O2/c1-25(2)21(29)15-9-10-17(22-12-15)16-6-5-11-26(13-16)20(28)14-27-19-8-4-3-7-18(19)23-24-27/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyRNAYAMINGYJRFE-INIZCTEOSA-N
XLogP1.93
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124958322
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
3-[1-[2-(benzotriazol-1-yl)acetyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130504
2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92623245
N,N-dimethyl-6-[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 95834324
(3S)-1-[2-(benzotriazol-1-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 94366754
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 166227750
2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341017
6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264291
6-[(3S)-1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92621849
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 154795469

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide (CID 92640653) is 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc([C@H]2CCCN(C(=O)Cn3nnc4ccccc43)C2)nc1.
What is the InChIKey of 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is RNAYAMINGYJRFE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25(2)21(29)15-9-10-17(22-12-15)16-6-5-11-26(13-16)20(28)14-27-19-8-4-3-7-18(19)23-24-27/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92640653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).