(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide

C15H21ClN4O2 — CID 120801200

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(c3ncccc3Cl)C2)O1
InChIInChI=1S/C15H21ClN4O2/c16-12-2-1-6-18-14(12)20-7-5-10(9-20)19-15(21)13-4-3-11(8-17)22-13/h1-2,6,10-11,13H,3-5,7-9,17H2,(H,19,21)/t10?,11-,13+/m1/s1
InChIKeyJSQCAJJUQLBFFA-ZNVNOEFISA-N
MW324.81 g/mol
LogP0.94
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide (PubChem CID 120801200) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide
PubChem CID120801200
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(c3ncccc3Cl)C2)O1
InChIInChI=1S/C15H21ClN4O2/c16-12-2-1-6-18-14(12)20-7-5-10(9-20)19-15(21)13-4-3-11(8-17)22-13/h1-2,6,10-11,13H,3-5,7-9,17H2,(H,19,21)/t10?,11-,13+/m1/s1
InChIKeyJSQCAJJUQLBFFA-ZNVNOEFISA-N
XLogP0.94
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 75379285
(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120801472
(2S,5R)-5-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxolane-2-carboxamide;dihydrochloride
CID 120799629
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
CID 120792805
1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992660
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-(diethylamino)pyrrolidine-1-carboxamide
CID 166217431
(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120797812
1-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97074230
(2S,5R)-5-(aminomethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxolane-2-carboxamide;dihydrochloride
CID 120800683

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide (CID 120801200) is (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2CCN(c3ncccc3Cl)C2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The InChIKey is JSQCAJJUQLBFFA-ZNVNOEFISA-N. The full InChI is InChI=1S/C15H21ClN4O2/c16-12-2-1-6-18-14(12)20-7-5-10(9-20)19-15(21)13-4-3-11(8-17)22-13/h1-2,6,10-11,13H,3-5,7-9,17H2,(H,19,21)/t10?,11-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120801200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).