5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide

C26H37N5O2 — CID 143279414

IUPAC5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(C(C)c4ccc(C)cc4)CC3)C(C)C2)c(O)c1
InChIInChI=1S/C26H37N5O2/c1-18-5-7-21(8-6-18)20(3)29-11-9-23(10-12-29)31-14-13-30(17-19(31)2)25-24(32)15-22(16-28-25)26(33)27-4/h5-8,15-16,19-20,23,32H,9-14,17H2,1-4H3,(H,27,33)
InChIKeyBMUCRXFRRGEUQN-UHFFFAOYSA-N
MW451.62 g/mol
LogP3.19
Rot. Bonds5

About 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide

5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 143279414) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID143279414
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(C(C)c4ccc(C)cc4)CC3)C(C)C2)c(O)c1
InChIInChI=1S/C26H37N5O2/c1-18-5-7-21(8-6-18)20(3)29-11-9-23(10-12-29)31-14-13-30(17-19(31)2)25-24(32)15-22(16-28-25)26(33)27-4/h5-8,15-16,19-20,23,32H,9-14,17H2,1-4H3,(H,27,33)
InChIKeyBMUCRXFRRGEUQN-UHFFFAOYSA-N
XLogP3.19
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide (CID 143279414) is 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(C3CCN(C(C)c4ccc(C)cc4)CC3)C(C)C2)c(O)c1.
What is the InChIKey of 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is BMUCRXFRRGEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-18-5-7-21(8-6-18)20(3)29-11-9-23(10-12-29)31-14-13-30(17-19(31)2)25-24(32)15-22(16-28-25)26(33)27-4/h5-8,15-16,19-20,23,32H,9-14,17H2,1-4H3,(H,27,33).
What are the key properties of 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide?
5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 451.62 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-6-[3-methyl-4-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143279414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).