methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate

C24H26N6O4 — CID 123138606

IUPACmethyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(C)=O)ccnc1NC1CCC(C)N(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C24H26N6O4/c1-15-8-9-17(28-22-21(24(33)34-3)18(16(2)31)10-11-25-22)14-29(15)23(32)19-6-4-5-7-20(19)30-26-12-13-27-30/h4-7,10-13,15,17H,8-9,14H2,1-3H3,(H,25,28)
InChIKeyYZTFQFCUCOUEPP-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.76
Rot. Bonds6

About methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate

methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (PubChem CID 123138606) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
PubChem CID123138606
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Namemethyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(C)=O)ccnc1NC1CCC(C)N(C(=O)c2ccccc2-n2nccn2)C1
InChIInChI=1S/C24H26N6O4/c1-15-8-9-17(28-22-21(24(33)34-3)18(16(2)31)10-11-25-22)14-29(15)23(32)19-6-4-5-7-20(19)30-26-12-13-27-30/h4-7,10-13,15,17H,8-9,14H2,1-3H3,(H,25,28)
InChIKeyYZTFQFCUCOUEPP-UHFFFAOYSA-N
XLogP2.76
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
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-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755186
Methyl 4-(5-carbamoyl-2-methylanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755187
Methyl 5-acetamido-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156213
[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271311
[(2S,3R)-2-methyl-3-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271313
Methyl 4-[[5-[(ethylamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 24755188
2-[3-(6-Oxo-1,2,3,4,6,10b-hexahydro-pyrido[2,1-a]isoindol-10-yl)-ureido]-nicotinic acid methyl ester
CID 67283821
US9556190, Example 41
CID 118175273
US9556190, Example 40
CID 118175274

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (CID 123138606) is methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is COC(=O)c1c(C(C)=O)ccnc1NC1CCC(C)N(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The InChIKey is YZTFQFCUCOUEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15-8-9-17(28-22-21(24(33)34-3)18(16(2)31)10-11-25-22)14-29(15)23(32)19-6-4-5-7-20(19)30-26-12-13-27-30/h4-7,10-13,15,17H,8-9,14H2,1-3H3,(H,25,28).
What are the key properties of methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyl-2-[[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 123138606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).