(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide

C19H33N5O2 — CID 75411826

IUPAC(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cnn(C)c2)CN(C)C(=O)C1
InChIInChI=1S/C19H33N5O2/c1-5-24(6-2)19(26)16-8-7-9-17(14-22(3)18(25)10-16)20-11-15-12-21-23(4)13-15/h12-13,16-17,20H,5-11,14H2,1-4H3/t16-,17-/m1/s1
InChIKeyZRFHBJIVVWCMCC-IAGOWNOFSA-N
MW363.51 g/mol
LogP1.40
Rot. Bonds6

About (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide

(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide (PubChem CID 75411826) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
PubChem CID75411826
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cnn(C)c2)CN(C)C(=O)C1
InChIInChI=1S/C19H33N5O2/c1-5-24(6-2)19(26)16-8-7-9-17(14-22(3)18(25)10-16)20-11-15-12-21-23(4)13-15/h12-13,16-17,20H,5-11,14H2,1-4H3/t16-,17-/m1/s1
InChIKeyZRFHBJIVVWCMCC-IAGOWNOFSA-N
XLogP1.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide (CID 75411826) is (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide is CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cnn(C)c2)CN(C)C(=O)C1.
What is the InChIKey of (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
The InChIKey is ZRFHBJIVVWCMCC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-5-24(6-2)19(26)16-8-7-9-17(14-22(3)18(25)10-16)20-11-15-12-21-23(4)13-15/h12-13,16-17,20H,5-11,14H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide?
(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).