9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide

C16H24N4O — CID 120993240

IUPAC9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCc1ncc(NC(=O)C2CC3CCCC(C2)C3N)cn1
InChIInChI=1S/C16H24N4O/c1-2-14-18-8-13(9-19-14)20-16(21)12-6-10-4-3-5-11(7-12)15(10)17/h8-12,15H,2-7,17H2,1H3,(H,20,21)
InChIKeyIAFGTXVHSBZNAR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.13
Rot. Bonds3

About 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120993240) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120993240
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCc1ncc(NC(=O)C2CC3CCCC(C2)C3N)cn1
InChIInChI=1S/C16H24N4O/c1-2-14-18-8-13(9-19-14)20-16(21)12-6-10-4-3-5-11(7-12)15(10)17/h8-12,15H,2-7,17H2,1H3,(H,20,21)
InChIKeyIAFGTXVHSBZNAR-UHFFFAOYSA-N
XLogP2.13
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994092
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
9-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985118
9-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985154
9-amino-N-[3-(butanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986622
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
ethyl 3-[4-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]propanoate
CID 120990507
9-amino-N-(2H-benzotriazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991865
9-amino-N-(5-ethyl-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991518
9-amino-N-(3-prop-2-enoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987346

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120993240) is 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide is CCc1ncc(NC(=O)C2CC3CCCC(C2)C3N)cn1.
What is the InChIKey of 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is IAFGTXVHSBZNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-14-18-8-13(9-19-14)20-16(21)12-6-10-4-3-5-11(7-12)15(10)17/h8-12,15H,2-7,17H2,1H3,(H,20,21).
What are the key properties of 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120993240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).