N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide

C22H33N3O4 — CID 170506646

IUPACN-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)c(=O)o1
InChIInChI=1S/C22H33N3O4/c1-8-9-14(2)19-12-15(3)20(22(27)29-19)21(26)25(10-11-28-7)13-18-16(4)23-24(6)17(18)5/h12,14H,8-11,13H2,1-7H3
InChIKeyGNQLOAGKHOBFNK-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.49
Rot. Bonds9

About N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide

N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide (PubChem CID 170506646) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide
PubChem CID170506646
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)c(=O)o1
InChIInChI=1S/C22H33N3O4/c1-8-9-14(2)19-12-15(3)20(22(27)29-19)21(26)25(10-11-28-7)13-18-16(4)23-24(6)17(18)5/h12,14H,8-11,13H2,1-7H3
InChIKeyGNQLOAGKHOBFNK-UHFFFAOYSA-N
XLogP3.49
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide (CID 170506646) is N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)c(=O)o1.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide?
The InChIKey is GNQLOAGKHOBFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-8-9-14(2)19-12-15(3)20(22(27)29-19)21(26)25(10-11-28-7)13-18-16(4)23-24(6)17(18)5/h12,14H,8-11,13H2,1-7H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide?
N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-oxo-6-pentan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyran-3-carboxamide is sourced from PubChem (CID 170506646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).