5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide

C11H14ClN3O2 — CID 83167410

IUPAC5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2cnccc2Cl)O1
InChIInChI=1S/C11H14ClN3O2/c12-8-3-4-14-6-9(8)15-11(16)10-2-1-7(5-13)17-10/h3-4,6-7,10H,1-2,5,13H2,(H,15,16)
InChIKeyXZOUXDOAGGNNPH-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.18
Rot. Bonds3

About 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide (PubChem CID 83167410) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
PubChem CID83167410
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)Nc2cnccc2Cl)O1
InChIInChI=1S/C11H14ClN3O2/c12-8-3-4-14-6-9(8)15-11(16)10-2-1-7(5-13)17-10/h3-4,6-7,10H,1-2,5,13H2,(H,15,16)
InChIKeyXZOUXDOAGGNNPH-UHFFFAOYSA-N
XLogP1.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-N-(4-acetamido-2-chlorophenyl)-5-(aminomethyl)oxolane-2-carboxamide
CID 120790754
(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-N-(4-acetamido-2-chlorophenyl)-5-(aminomethyl)oxolane-2-carboxamide;hydrochloride
CID 120790753
(2S,5R)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786045
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
(2S,5R)-5-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 120783138
(2S,5R)-5-(aminomethyl)-N-[5-chloro-2-(cyclopropylamino)phenyl]oxolane-2-carboxamide
CID 120798578
(2S,5R)-5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)oxolane-2-carboxamide
CID 120783154
(2S,5R)-5-(aminomethyl)-N-(2,4,5-trifluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786075
5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide
CID 116786747

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide (CID 83167410) is 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide is NCC1CCC(C(=O)Nc2cnccc2Cl)O1.
What is the InChIKey of 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide?
The InChIKey is XZOUXDOAGGNNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-8-3-4-14-6-9(8)15-11(16)10-2-1-7(5-13)17-10/h3-4,6-7,10H,1-2,5,13H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 83167410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).