9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C16H26N4O — CID 120986416

IUPAC9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCn1cc(CCNC(=O)C2CC3CCCC(C2)C3N)cn1
InChIInChI=1S/C16H26N4O/c1-20-10-11(9-19-20)5-6-18-16(21)14-7-12-3-2-4-13(8-14)15(12)17/h9-10,12-15H,2-8,17H2,1H3,(H,18,21)
InChIKeyCMJJCAWAGZXYGY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.23
Rot. Bonds4

About 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120986416) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120986416
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCn1cc(CCNC(=O)C2CC3CCCC(C2)C3N)cn1
InChIInChI=1S/C16H26N4O/c1-20-10-11(9-19-20)5-6-18-16(21)14-7-12-3-2-4-13(8-14)15(12)17/h9-10,12-15H,2-8,17H2,1H3,(H,18,21)
InChIKeyCMJJCAWAGZXYGY-UHFFFAOYSA-N
XLogP1.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
9-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987724
(1S,3R,4R)-3-amino-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940977
methyl 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 120984703
9-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983638
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795
9-amino-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989295
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide
CID 169418153
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120986416) is 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is Cn1cc(CCNC(=O)C2CC3CCCC(C2)C3N)cn1.
What is the InChIKey of 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CMJJCAWAGZXYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-20-10-11(9-19-20)5-6-18-16(21)14-7-12-3-2-4-13(8-14)15(12)17/h9-10,12-15H,2-8,17H2,1H3,(H,18,21).
What are the key properties of 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120986416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).