N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide

C18H26N6O — CID 70737792

IUPACN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H26N6O/c1-14(2)24-13-20-21-17(24)12-22(3)18(25)15-7-6-10-23(11-15)16-8-4-5-9-19-16/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3
InChIKeyZFLGNVCDZHQUGM-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.13
Rot. Bonds5

About N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide

N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 70737792) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID70737792
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H26N6O/c1-14(2)24-13-20-21-17(24)12-22(3)18(25)15-7-6-10-23(11-15)16-8-4-5-9-19-16/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3
InChIKeyZFLGNVCDZHQUGM-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
trans-(1R,2R)-N-methyl-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 56754710
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
N-benzyl-1-(6-methoxypyridazin-3-yl)-N-methylpiperidine-3-carboxamide
CID 75490694
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 29258017
(3R)-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 97436003
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
N-(2-methoxyethyl)-1-pyridin-2-yl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 77079060

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide (CID 70737792) is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide is CC(C)n1cnnc1CN(C)C(=O)C1CCCN(c2ccccn2)C1.
What is the InChIKey of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZFLGNVCDZHQUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14(2)24-13-20-21-17(24)12-22(3)18(25)15-7-6-10-23(11-15)16-8-4-5-9-19-16/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3.
What are the key properties of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 70737792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).