2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C29H37N5O3S — CID 26330248

IUPAC2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NCc2csc(C)n2)c(N2CCC(N3CCC[C@@H](CO)C3)CC2)n1
InChIInChI=1S/C29H37N5O3S/c1-20-31-22(19-38-20)16-30-29(36)25-9-10-26(24-7-3-4-8-27(24)37-2)32-28(25)33-14-11-23(12-15-33)34-13-5-6-21(17-34)18-35/h3-4,7-10,19,21,23,35H,5-6,11-18H2,1-2H3,(H,30,36)/t21-/m1/s1
InChIKeyWCAGBXBJBDRYBJ-OAQYLSRUSA-N
MW535.71 g/mol
LogP4.13
Rot. Bonds8

About 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 26330248) has the molecular formula C29H37N5O3S and a molecular weight of 535.71 g/mol. Its IUPAC name is 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID26330248
Molecular FormulaC29H37N5O3S
Molecular Weight535.71 g/mol
Exact Mass535.26
IUPAC Name2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NCc2csc(C)n2)c(N2CCC(N3CCC[C@@H](CO)C3)CC2)n1
InChIInChI=1S/C29H37N5O3S/c1-20-31-22(19-38-20)16-30-29(36)25-9-10-26(24-7-3-4-8-27(24)37-2)32-28(25)33-14-11-23(12-15-33)34-13-5-6-21(17-34)18-35/h3-4,7-10,19,21,23,35H,5-6,11-18H2,1-2H3,(H,30,36)/t21-/m1/s1
InChIKeyWCAGBXBJBDRYBJ-OAQYLSRUSA-N
XLogP4.13
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.71
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)-3-pyridinyl]-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 45247656
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 126445759
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
(3S)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96577078
1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955907
2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 126475447
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51084019
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94047838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 26330248) is 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)NCc2csc(C)n2)c(N2CCC(N3CCC[C@@H](CO)C3)CC2)n1.
What is the InChIKey of 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is WCAGBXBJBDRYBJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H37N5O3S/c1-20-31-22(19-38-20)16-30-29(36)25-9-10-26(24-7-3-4-8-27(24)37-2)32-28(25)33-14-11-23(12-15-33)34-13-5-6-21(17-34)18-35/h3-4,7-10,19,21,23,35H,5-6,11-18H2,1-2H3,(H,30,36)/t21-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 535.71 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 26330248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).