N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide

C26H31N3O3S — CID 45246236

IUPACN,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(CCc3ccccc3)n(CC3CCCO3)c(C)cc2=O)cs1
InChIInChI=1S/C26H31N3O3S/c1-18-14-24(30)25(26(31)28(3)15-21-17-33-19(2)27-21)23(12-11-20-8-5-4-6-9-20)29(18)16-22-10-7-13-32-22/h4-6,8-9,14,17,22H,7,10-13,15-16H2,1-3H3
InChIKeyLXCUPAFCOFPAGV-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.16
Rot. Bonds8

About N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide

N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 45246236) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID45246236
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(CCc3ccccc3)n(CC3CCCO3)c(C)cc2=O)cs1
InChIInChI=1S/C26H31N3O3S/c1-18-14-24(30)25(26(31)28(3)15-21-17-33-19(2)27-21)23(12-11-20-8-5-4-6-9-20)29(18)16-22-10-7-13-32-22/h4-6,8-9,14,17,22H,7,10-13,15-16H2,1-3H3
InChIKeyLXCUPAFCOFPAGV-UHFFFAOYSA-N
XLogP4.16
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899324
N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 25294359
N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 56583198
1-benzyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 86855477
N,N-dimethyl-2-[[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110042804
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one
CID 82217634
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369479
2-chloro-N-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methyl]-N-methyl-1,3-benzothiazole-5-carboxamide
CID 133167300
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 109424507

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide (CID 45246236) is N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide is Cc1nc(CN(C)C(=O)c2c(CCc3ccccc3)n(CC3CCCO3)c(C)cc2=O)cs1.
What is the InChIKey of N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is LXCUPAFCOFPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-18-14-24(30)25(26(31)28(3)15-21-17-33-19(2)27-21)23(12-11-20-8-5-4-6-9-20)29(18)16-22-10-7-13-32-22/h4-6,8-9,14,17,22H,7,10-13,15-16H2,1-3H3.
What are the key properties of N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide?
N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45246236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).