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

C24H26N6O4 — CID 118192304

IUPACmethyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(C)=O)ccnc1N[C@@H]1CC[C@@H](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)/t15-,17-/m1/s1
InChIKeyYZTFQFCUCOUEPP-NVXWUHKLSA-N
MW462.51 g/mol
LogP2.76
Rot. Bonds6

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

methyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (PubChem CID 118192304) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is methyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
PubChem CID118192304
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Namemethyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(C(C)=O)ccnc1N[C@@H]1CC[C@@H](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)/t15-,17-/m1/s1
InChIKeyYZTFQFCUCOUEPP-NVXWUHKLSA-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-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate (CID 118192304) is methyl 4-acetyl-2-[[(3R,6R)-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-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is COC(=O)c1c(C(C)=O)ccnc1N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.
What is the InChIKey of methyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
The InChIKey is YZTFQFCUCOUEPP-NVXWUHKLSA-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)/t15-,17-/m1/s1.
What are the key properties of methyl 4-acetyl-2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate?
methyl 4-acetyl-2-[[(3R,6R)-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-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 118192304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).