N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide

C17H23N3O2S — CID 156585739

IUPACN-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccc(=O)[nH]c2C(C)C)cs1
InChIInChI=1S/C17H23N3O2S/c1-10(2)15-13(6-7-14(21)19-15)17(22)20(5)8-12-9-23-16(18-12)11(3)4/h6-7,9-11H,8H2,1-5H3,(H,19,21)
InChIKeyANVAGXVLURQOPE-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide

N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 156585739) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID156585739
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccc(=O)[nH]c2C(C)C)cs1
InChIInChI=1S/C17H23N3O2S/c1-10(2)15-13(6-7-14(21)19-15)17(22)20(5)8-12-9-23-16(18-12)11(3)4/h6-7,9-11H,8H2,1-5H3,(H,19,21)
InChIKeyANVAGXVLURQOPE-UHFFFAOYSA-N
XLogP3.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 77085896
N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 137025319
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 77085626
N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56722201
6-methoxy-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 70725974
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 70764622
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157011420
1-methyl-3-[(2S)-3-methyl-1,4-dioxobutan-2-yl]-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 89111494
3-[(Z)-2-aminoethenyl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 70837873
(2S)-3-methyl-N-[4-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
CID 71076126
methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 59131480

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 156585739) is N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide is CC(C)c1nc(CN(C)C(=O)c2ccc(=O)[nH]c2C(C)C)cs1.
What is the InChIKey of N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is ANVAGXVLURQOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-10(2)15-13(6-7-14(21)19-15)17(22)20(5)8-12-9-23-16(18-12)11(3)4/h6-7,9-11H,8H2,1-5H3,(H,19,21).
What are the key properties of N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 156585739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).