methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate

C22H24N6O3 — CID 144872023

IUPACmethyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ccnc1NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C22H24N6O3/c1-15-9-10-23-20(19(15)22(30)31-2)26-16-6-5-13-27(14-16)21(29)17-7-3-4-8-18(17)28-24-11-12-25-28/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,26)
InChIKeyDFFNHPGUEHCZGZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.47
Rot. Bonds5

About methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate

methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (PubChem CID 144872023) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
PubChem CID144872023
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Namemethyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C)ccnc1NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C22H24N6O3/c1-15-9-10-23-20(19(15)22(30)31-2)26-16-6-5-13-27(14-16)21(29)17-7-3-4-8-18(17)28-24-11-12-25-28/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,26)
InChIKeyDFFNHPGUEHCZGZ-UHFFFAOYSA-N
XLogP2.47
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[(2-methylimidazo[1,2-a]pyrazin-8-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145111894
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134503247
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857
methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610227
ethane;methyl 4-methyl-2-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144739570
ethane;methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610226
methyl 4-cyano-2-[[(3R,5R)-5-methyl-1-[2-(triazol-2-yl)benzoyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 121413491
S-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl] ethanethioate
CID 145108146
methyl 1-[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-2H-pyridine-3-carboxylate
CID 140697799
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (CID 144872023) is methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is COC(=O)c1c(C)ccnc1NC1CCCN(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The InChIKey is DFFNHPGUEHCZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-15-9-10-23-20(19(15)22(30)31-2)26-16-6-5-13-27(14-16)21(29)17-7-3-4-8-18(17)28-24-11-12-25-28/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,23,26).
What are the key properties of methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 144872023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).