N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide

C18H26N4O3 — CID 72933656

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide
SMILESCOc1cccn(CC(=O)N(C)Cc2c(C)nn(C(C)C)c2C)c1=O
InChIInChI=1S/C18H26N4O3/c1-12(2)22-14(4)15(13(3)19-22)10-20(5)17(23)11-21-9-7-8-16(25-6)18(21)24/h7-9,12H,10-11H2,1-6H3
InChIKeyHUHLXULALIABQE-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.91
Rot. Bonds6

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide (PubChem CID 72933656) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide
PubChem CID72933656
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide
SMILESCOc1cccn(CC(=O)N(C)Cc2c(C)nn(C(C)C)c2C)c1=O
InChIInChI=1S/C18H26N4O3/c1-12(2)22-14(4)15(13(3)19-22)10-20(5)17(23)11-21-9-7-8-16(25-6)18(21)24/h7-9,12H,10-11H2,1-6H3
InChIKeyHUHLXULALIABQE-UHFFFAOYSA-N
XLogP1.91
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-3-ylmethyl)-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide
CID 72844282
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 48653837
2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 47006781
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxy-N-methylbenzamide
CID 19454037
2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
CID 82151240
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72925010
ethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652437
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51216600
2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
CID 72858898
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531865
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072
N-cyclopentyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 72935919

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide (CID 72933656) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide is COc1cccn(CC(=O)N(C)Cc2c(C)nn(C(C)C)c2C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide?
The InChIKey is HUHLXULALIABQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(2)22-14(4)15(13(3)19-22)10-20(5)17(23)11-21-9-7-8-16(25-6)18(21)24/h7-9,12H,10-11H2,1-6H3.
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide has a molecular weight of 346.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-(3-methoxy-2-oxo-1-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 72933656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).