4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide

C57H78BrN15O4 — CID 158492822

IUPAC4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(C)CCN(c2cccn3nc(Cc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CC(=O)NC1(C)CCNCC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1
InChIInChI=1S/C29H39N7O2.C20H23BrN6O.C8H16N2O/c1-21(37)31-29(2)13-18-35(19-14-29)25-6-5-15-36-27(25)30-26(32-36)20-22-7-9-23(10-8-22)28(38)34(4)24-11-16-33(3)17-12-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-7(11)10-8(2)3-5-9-6-4-8/h5-10,15,24H,11-14,16-20H2,1-4H3,(H,31,37);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);9H,3-6H2,1-2H3,(H,10,11)
InChIKeyHIXHHNMDYSZIKB-UHFFFAOYSA-N
MW1117.26 g/mol
LogP6.65
Rot. Bonds11

About 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide

4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide (PubChem CID 158492822) has the molecular formula C57H78BrN15O4 and a molecular weight of 1117.26 g/mol. Its IUPAC name is 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide
PubChem CID158492822
Molecular FormulaC57H78BrN15O4
Molecular Weight1117.26 g/mol
Exact Mass1115.55
IUPAC Name4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide
SMILESCC(=O)NC1(C)CCN(c2cccn3nc(Cc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CC(=O)NC1(C)CCNCC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1
InChIInChI=1S/C29H39N7O2.C20H23BrN6O.C8H16N2O/c1-21(37)31-29(2)13-18-35(19-14-29)25-6-5-15-36-27(25)30-26(32-36)20-22-7-9-23(10-8-22)28(38)34(4)24-11-16-33(3)17-12-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-7(11)10-8(2)3-5-9-6-4-8/h5-10,15,24H,11-14,16-20H2,1-4H3,(H,31,37);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);9H,3-6H2,1-2H3,(H,10,11)
InChIKeyHIXHHNMDYSZIKB-UHFFFAOYSA-N
XLogP6.65
TPSA192.98 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.26
LogP ≤ 56.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide?
The IUPAC name of 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide (CID 158492822) is 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide is CC(=O)NC1(C)CCN(c2cccn3nc(Cc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CC(=O)NC1(C)CCNCC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.
What is the InChIKey of 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide?
The InChIKey is HIXHHNMDYSZIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O2.C20H23BrN6O.C8H16N2O/c1-21(37)31-29(2)13-18-35(19-14-29)25-6-5-15-36-27(25)30-26(32-36)20-22-7-9-23(10-8-22)28(38)34(4)24-11-16-33(3)17-12-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-7(11)10-8(2)3-5-9-6-4-8/h5-10,15,24H,11-14,16-20H2,1-4H3,(H,31,37);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide?
4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide has a molecular weight of 1117.26 g/mol, XLogP of 6.65, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(4-acetamido-4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-(4-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 158492822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).