5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide

C13H19N3O2 — CID 81410076

IUPAC5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)C1CCC(CN)O1)c1ccncc1
InChIInChI=1S/C13H19N3O2/c1-9(10-4-6-15-7-5-10)16-13(17)12-3-2-11(8-14)18-12/h4-7,9,11-12H,2-3,8,14H2,1H3,(H,16,17)/t9-,11?,12?/m0/s1
InChIKeyBDZDNZSPXJADLJ-GCVQQVDUSA-N
MW249.31 g/mol
LogP0.77
Rot. Bonds4

About 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide

5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide (PubChem CID 81410076) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
PubChem CID81410076
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)C1CCC(CN)O1)c1ccncc1
InChIInChI=1S/C13H19N3O2/c1-9(10-4-6-15-7-5-10)16-13(17)12-3-2-11(8-14)18-12/h4-7,9,11-12H,2-3,8,14H2,1H3,(H,16,17)/t9-,11?,12?/m0/s1
InChIKeyBDZDNZSPXJADLJ-GCVQQVDUSA-N
XLogP0.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
(2S,5R)-5-(aminomethyl)-N-[1-(4-phenoxyphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791365
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
(2S,5R)-5-(aminomethyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787279
(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
CID 120793588
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120793696
(2S,5R)-5-(aminomethyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 120784604

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide (CID 81410076) is 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide is C[C@H](NC(=O)C1CCC(CN)O1)c1ccncc1.
What is the InChIKey of 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide?
The InChIKey is BDZDNZSPXJADLJ-GCVQQVDUSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(10-4-6-15-7-5-10)16-13(17)12-3-2-11(8-14)18-12/h4-7,9,11-12H,2-3,8,14H2,1H3,(H,16,17)/t9-,11?,12?/m0/s1.
What are the key properties of 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide?
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 81410076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).