ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H27N3O3 — CID 58346855

IUPACethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccccn1)C2
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)22-15-8-9-16(22)13-14(12-15)6-5-11-21-18(23)17-7-3-4-10-20-17/h3-4,7,10,14-16H,2,5-6,8-9,11-13H2,1H3,(H,21,23)
InChIKeyYJWJOMDBJVFDRL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.99
Rot. Bonds6

About ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 58346855) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID58346855
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccccn1)C2
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)22-15-8-9-16(22)13-14(12-15)6-5-11-21-18(23)17-7-3-4-10-20-17/h3-4,7,10,14-16H,2,5-6,8-9,11-13H2,1H3,(H,21,23)
InChIKeyYJWJOMDBJVFDRL-UHFFFAOYSA-N
XLogP2.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

ethyl 3-[3-[(2-thiophen-2-ylacetyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346879
ethyl 3-[3-[(2-chloro-4-fluorobenzoyl)amino]propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58346854
ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
CID 56910971
N-(2-piperidin-4-ylethyl)pyridine-2-carboxamide
CID 21497163
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
ethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70658238
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
CID 115635951

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 58346855) is ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC(=O)N1C2CCC1CC(CCCNC(=O)c1ccccn1)C2.
What is the InChIKey of ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is YJWJOMDBJVFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-19(24)22-15-8-9-16(22)13-14(12-15)6-5-11-21-18(23)17-7-3-4-10-20-17/h3-4,7,10,14-16H,2,5-6,8-9,11-13H2,1H3,(H,21,23).
What are the key properties of ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(pyridine-2-carbonylamino)propyl]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 58346855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).