2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide

C23H26N4OS — CID 55451656

IUPAC2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(CN2CCC(C)CC2)cs1
InChIInChI=1S/C23H26N4OS/c1-16-10-12-27(13-11-16)14-19-15-29-23(25-19)26-22(28)20-8-9-21(24-17(20)2)18-6-4-3-5-7-18/h3-9,15-16H,10-14H2,1-2H3,(H,25,26,28)
InChIKeySFPXZSGTFDXNIN-UHFFFAOYSA-N
MW406.56 g/mol
LogP5.00
Rot. Bonds5

About 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide

2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide (PubChem CID 55451656) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide
PubChem CID55451656
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(CN2CCC(C)CC2)cs1
InChIInChI=1S/C23H26N4OS/c1-16-10-12-27(13-11-16)14-19-15-29-23(25-19)26-22(28)20-8-9-21(24-17(20)2)18-6-4-3-5-7-18/h3-9,15-16H,10-14H2,1-2H3,(H,25,26,28)
InChIKeySFPXZSGTFDXNIN-UHFFFAOYSA-N
XLogP5.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
6-chloro-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 30187151
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 30186123
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 18143752
3-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24685478
1-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 112813953
5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
CID 24611098
4,5-dimethyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30185625
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26130484
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide (CID 55451656) is 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc(CN2CCC(C)CC2)cs1.
What is the InChIKey of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide?
The InChIKey is SFPXZSGTFDXNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-16-10-12-27(13-11-16)14-19-15-29-23(25-19)26-22(28)20-8-9-21(24-17(20)2)18-6-4-3-5-7-18/h3-9,15-16H,10-14H2,1-2H3,(H,25,26,28).
What are the key properties of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide?
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 55451656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).