(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C20H27N3O2 — CID 98110437

IUPAC(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)cc1
InChIInChI=1S/C20H27N3O2/c1-13-5-9-15(10-6-13)22-20(25)23-17-3-2-4-18(23)12-16(11-17)21-19(24)14-7-8-14/h5-6,9-10,14,16-18H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,25)/t17-,18-/m1/s1
InChIKeyAZTJREUEGYWVNN-QZTJIDSGSA-N
MW341.45 g/mol
LogP3.44
Rot. Bonds3

About (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 98110437) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID98110437
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1ccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)cc1
InChIInChI=1S/C20H27N3O2/c1-13-5-9-15(10-6-13)22-20(25)23-17-3-2-4-18(23)12-16(11-17)21-19(24)14-7-8-14/h5-6,9-10,14,16-18H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,25)/t17-,18-/m1/s1
InChIKeyAZTJREUEGYWVNN-QZTJIDSGSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide with MolForge

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Related Compounds

(1S,5S)-3-(cyclopropanecarbonylamino)-N-(2-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7229967
(1S,5R)-3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 11902412
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110448
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
(1S,5S)-N-(2-chlorophenyl)-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403597
(1R,5S)-3-acetamido-N-(4-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403546
(1S,5R)-N-cyclohexyl-3-(cyclopropanecarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467268
(1S,5S)-N-(4-fluorophenyl)-3-[(2-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110480
1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 50903525
N-[(1S,5S)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110608
N-[(1R,5R)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110607
N-[9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 644580

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 98110437) is (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is Cc1ccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CC2)C3)cc1.
What is the InChIKey of (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is AZTJREUEGYWVNN-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-5-9-15(10-6-13)22-20(25)23-17-3-2-4-18(23)12-16(11-17)21-19(24)14-7-8-14/h5-6,9-10,14,16-18H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,25)/t17-,18-/m1/s1.
What are the key properties of (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(cyclopropanecarbonylamino)-N-(4-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 98110437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).