2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide

C18H22N8O — CID 91778782

IUPAC2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1
InChIInChI=1S/C18H22N8O/c1-19-16-14(5-3-6-20-16)18(27)22-13-9-12(10-13)17-24-23-15(25(17)2)11-26-8-4-7-21-26/h3-8,12-13H,9-11H2,1-2H3,(H,19,20)(H,22,27)
InChIKeyBYVKCCVZVQNSRB-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.17
Rot. Bonds6

About 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide

2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide (PubChem CID 91778782) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
PubChem CID91778782
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1
InChIInChI=1S/C18H22N8O/c1-19-16-14(5-3-6-20-16)18(27)22-13-9-12(10-13)17-24-23-15(25(17)2)11-26-8-4-7-21-26/h3-8,12-13H,9-11H2,1-2H3,(H,19,20)(H,22,27)
InChIKeyBYVKCCVZVQNSRB-UHFFFAOYSA-N
XLogP1.17
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91796886
2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91791372
1-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazole-4-carboxamide
CID 91781383
2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
CID 91782556
5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
CID 91787315
N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 91779265
(2-hydroxyphenyl)-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97208763
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxybenzamide
CID 91791437
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662
[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 72938936
N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56745047
6-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 72863419

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide (CID 91778782) is 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide is CNc1ncccc1C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1.
What is the InChIKey of 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?
The InChIKey is BYVKCCVZVQNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-19-16-14(5-3-6-20-16)18(27)22-13-9-12(10-13)17-24-23-15(25(17)2)11-26-8-4-7-21-26/h3-8,12-13H,9-11H2,1-2H3,(H,19,20)(H,22,27).
What are the key properties of 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide?
2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 91778782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).