(4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

C20H33N5O3 — CID 75411676

IUPAC(4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1
InChIInChI=1S/C20H33N5O3/c1-6-25(7-2)20(28)15-9-8-10-16(13-23(4)18(26)12-15)21-19(27)17-11-14(3)24(5)22-17/h11,15-16H,6-10,12-13H2,1-5H3,(H,21,27)/t15-,16-/m1/s1
InChIKeyIFNFNAHPDTVJCC-HZPDHXFCSA-N
MW391.52 g/mol
LogP1.34
Rot. Bonds5

About (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

(4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 75411676) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID75411676
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name(4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1
InChIInChI=1S/C20H33N5O3/c1-6-25(7-2)20(28)15-9-8-10-16(13-23(4)18(26)12-15)21-19(27)17-11-14(3)24(5)22-17/h11,15-16H,6-10,12-13H2,1-5H3,(H,21,27)/t15-,16-/m1/s1
InChIKeyIFNFNAHPDTVJCC-HZPDHXFCSA-N
XLogP1.34
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (CID 75411676) is (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C)n(C)n2)CN(C)C(=O)C1.
What is the InChIKey of (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is IFNFNAHPDTVJCC-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-6-25(7-2)20(28)15-9-8-10-16(13-23(4)18(26)12-15)21-19(27)17-11-14(3)24(5)22-17/h11,15-16H,6-10,12-13H2,1-5H3,(H,21,27)/t15-,16-/m1/s1.
What are the key properties of (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
(4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).