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

C15H19N3O2S — CID 77085896

IUPACN,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2csc(C(C)C)n2)cc(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-9(2)14-17-12(8-21-14)7-18(4)15(20)11-5-10(3)16-13(19)6-11/h5-6,8-9H,7H2,1-4H3,(H,16,19)
InChIKeyLHXGIHPGEWIJCG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.54
Rot. Bonds4

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

N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide (PubChem CID 77085896) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
PubChem CID77085896
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2csc(C(C)C)n2)cc(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-9(2)14-17-12(8-21-14)7-18(4)15(20)11-5-10(3)16-13(19)6-11/h5-6,8-9H,7H2,1-4H3,(H,16,19)
InChIKeyLHXGIHPGEWIJCG-UHFFFAOYSA-N
XLogP2.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 77085626
N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 70764622
N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56722201
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
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
6-methoxy-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 70725974
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031583
2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
CID 71994258
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)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 118297816

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide (CID 77085896) is N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2csc(C(C)C)n2)cc(=O)[nH]1.
What is the InChIKey of N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
The InChIKey is LHXGIHPGEWIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(2)14-17-12(8-21-14)7-18(4)15(20)11-5-10(3)16-13(19)6-11/h5-6,8-9H,7H2,1-4H3,(H,16,19).
What are the key properties of N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 77085896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).