methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate

C22H24N6O3 — CID 123412923

IUPACmethyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CCC(C)N(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C22H24N6O3/c1-15-9-10-16(26-20-18(22(30)31-2)7-5-11-23-20)14-27(15)21(29)17-6-3-4-8-19(17)28-24-12-13-25-28/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,23,26)
InChIKeyXJPXAOVFVWBQMW-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.55
Rot. Bonds5

About methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate

methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (PubChem CID 123412923) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
PubChem CID123412923
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Namemethyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CCC(C)N(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C22H24N6O3/c1-15-9-10-16(26-20-18(22(30)31-2)7-5-11-23-20)14-27(15)21(29)17-6-3-4-8-19(17)28-24-12-13-25-28/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,23,26)
InChIKeyXJPXAOVFVWBQMW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)amino)isonicotinonitrile
CID 76072813
methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
(S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16066811
(R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16662634
(2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 16662687
(S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-isopropylpiperazine-1-carboxylate
CID 16662689
3-[5-(2-Amino-phenylcarbamoyl)-pyridin-2-yl]-3,8-diaza-bicyclo[3.2.1]octane-8-carboxylic acid benzyl ester
CID 44433633
methyl 4-({[1-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]carbonyl}amino)benzenecarboxylate
CID 1472422
2-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-piperidin-1-yl)-benzoic acid methyl ester
CID 11293092
Methyl 5-methyl-4-[2-methyl-5-(methylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755185
Methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755187
Methyl 4-[5-(methoxycarbamoyl)-2-methylanilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (CID 123412923) is methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC1CCC(C)N(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The InChIKey is XJPXAOVFVWBQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-15-9-10-16(26-20-18(22(30)31-2)7-5-11-23-20)14-27(15)21(29)17-6-3-4-8-19(17)28-24-12-13-25-28/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 123412923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).