2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide

C14H23N5O — CID 91838846

IUPAC2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCN1[C@H]2CC[C@@H]1CN(CC(=O)Nc1ccn(C)n1)CC2
InChIInChI=1S/C14H23N5O/c1-17-7-6-13(16-17)15-14(20)10-19-8-5-11-3-4-12(9-19)18(11)2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,16,20)/t11-,12+/m0/s1
InChIKeyLDPPGFFDTHMBEH-NWDGAFQWSA-N
MW277.37 g/mol
LogP0.53
Rot. Bonds3

About 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91838846) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91838846
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCN1[C@H]2CC[C@@H]1CN(CC(=O)Nc1ccn(C)n1)CC2
InChIInChI=1S/C14H23N5O/c1-17-7-6-13(16-17)15-14(20)10-19-8-5-11-3-4-12(9-19)18(11)2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,16,20)/t11-,12+/m0/s1
InChIKeyLDPPGFFDTHMBEH-NWDGAFQWSA-N
XLogP0.53
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-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 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 91838846) is 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide is CN1[C@H]2CC[C@@H]1CN(CC(=O)Nc1ccn(C)n1)CC2.
What is the InChIKey of 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is LDPPGFFDTHMBEH-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17-7-6-13(16-17)15-14(20)10-19-8-5-11-3-4-12(9-19)18(11)2/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,16,20)/t11-,12+/m0/s1.
What are the key properties of 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91838846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).