(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide

C19H23N3O4 — CID 120797994

IUPAC(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)[C@@H]3CC[C@H](CN)O3)cn2)c1
InChIInChI=1S/C19H23N3O4/c1-24-14-3-2-4-15(9-14)26-18-8-5-13(11-21-18)12-22-19(23)17-7-6-16(10-20)25-17/h2-5,8-9,11,16-17H,6-7,10,12,20H2,1H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyXATIYSUCQFLSIO-SJORKVTESA-N
MW357.41 g/mol
LogP2.01
Rot. Bonds7

About (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide (PubChem CID 120797994) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
PubChem CID120797994
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)[C@@H]3CC[C@H](CN)O3)cn2)c1
InChIInChI=1S/C19H23N3O4/c1-24-14-3-2-4-15(9-14)26-18-8-5-13(11-21-18)12-22-19(23)17-7-6-16(10-20)25-17/h2-5,8-9,11,16-17H,6-7,10,12,20H2,1H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyXATIYSUCQFLSIO-SJORKVTESA-N
XLogP2.01
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 120794968
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847595
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
(2S,5R)-5-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786945
(2S,5R)-5-(aminomethyl)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797985
(2S,5R)-5-(aminomethyl)-N-[(2-bromo-5-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120788732
methyl 3-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]benzoate;hydrochloride
CID 120785903

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide (CID 120797994) is (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide is COc1cccc(Oc2ccc(CNC(=O)[C@@H]3CC[C@H](CN)O3)cn2)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide?
The InChIKey is XATIYSUCQFLSIO-SJORKVTESA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-14-3-2-4-15(9-14)26-18-8-5-13(11-21-18)12-22-19(23)17-7-6-16(10-20)25-17/h2-5,8-9,11,16-17H,6-7,10,12,20H2,1H3,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120797994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).