N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

C16H21N3O2S — CID 95614454

IUPACN-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H21N3O2S/c1-10(15-18-12(9-22-15)16(2,3)4)17-14(21)11-6-7-13(20)19(5)8-11/h6-10H,1-5H3,(H,17,21)/t10-/m1/s1
InChIKeyBPAPNVRONRRKRW-SNVBAGLBSA-N
MW319.43 g/mol
LogP2.63
Rot. Bonds3

About N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 95614454) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID95614454
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H21N3O2S/c1-10(15-18-12(9-22-15)16(2,3)4)17-14(21)11-6-7-13(20)19(5)8-11/h6-10H,1-5H3,(H,17,21)/t10-/m1/s1
InChIKeyBPAPNVRONRRKRW-SNVBAGLBSA-N
XLogP2.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125452
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56782264
1-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95331761
2-[1-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373640
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95297523
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 71938396
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111106616
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 95614454) is N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is BPAPNVRONRRKRW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(15-18-12(9-22-15)16(2,3)4)17-14(21)11-6-7-13(20)19(5)8-11/h6-10H,1-5H3,(H,17,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 95614454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).