N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

C18H27N5O3 — CID 70754424

IUPACN,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCc1cn[nH]c1)C2
InChIInChI=1S/C18H27N5O3/c1-21(2)17(25)12-23-15-7-6-14(18(23)26)10-22(11-15)16(24)5-3-4-13-8-19-20-9-13/h8-9,14-15H,3-7,10-12H2,1-2H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyZREZJYVLXJHGKP-LSDHHAIUSA-N
MW361.45 g/mol
LogP0.27
Rot. Bonds6

About N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (PubChem CID 70754424) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
PubChem CID70754424
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESCN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCc1cn[nH]c1)C2
InChIInChI=1S/C18H27N5O3/c1-21(2)17(25)12-23-15-7-6-14(18(23)26)10-22(11-15)16(24)5-3-4-13-8-19-20-9-13/h8-9,14-15H,3-7,10-12H2,1-2H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyZREZJYVLXJHGKP-LSDHHAIUSA-N
XLogP0.27
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide 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 N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (CID 70754424) is N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCc1cn[nH]c1)C2.
What is the InChIKey of N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The InChIKey is ZREZJYVLXJHGKP-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-21(2)17(25)12-23-15-7-6-14(18(23)26)10-22(11-15)16(24)5-3-4-13-8-19-20-9-13/h8-9,14-15H,3-7,10-12H2,1-2H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S,5R)-7-oxo-3-[4-(1H-pyrazol-4-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is sourced from PubChem (CID 70754424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).