5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride

C11H16Cl3N3O2 — CID 66962076

IUPAC5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ncc(Cl)cc1OC[C@H]1CCCN1
InChIInChI=1S/C11H14ClN3O2.2ClH/c12-7-4-9(10(11(13)16)15-5-7)17-6-8-2-1-3-14-8;;/h4-5,8,14H,1-3,6H2,(H2,13,16);2*1H/t8-;;/m1../s1
InChIKeyWHETWHOGHHMWJU-YCBDHFTFSA-N
MW328.63 g/mol
LogP1.81
Rot. Bonds4

About 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride

5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride (PubChem CID 66962076) has the molecular formula C11H16Cl3N3O2 and a molecular weight of 328.63 g/mol. Its IUPAC name is 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride
PubChem CID66962076
Molecular FormulaC11H16Cl3N3O2
Molecular Weight328.63 g/mol
Exact Mass327.03
IUPAC Name5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ncc(Cl)cc1OC[C@H]1CCCN1
InChIInChI=1S/C11H14ClN3O2.2ClH/c12-7-4-9(10(11(13)16)15-5-7)17-6-8-2-1-3-14-8;;/h4-5,8,14H,1-3,6H2,(H2,13,16);2*1H/t8-;;/m1../s1
InChIKeyWHETWHOGHHMWJU-YCBDHFTFSA-N
XLogP1.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride 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

2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
N-[2-chloro-5,6-bis[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54158525
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
CID 62349426
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-bromo-6-(piperidin-2-ylmethoxy)benzamide
CID 114887724
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride (CID 66962076) is 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1ncc(Cl)cc1OC[C@H]1CCCN1.
What is the InChIKey of 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is WHETWHOGHHMWJU-YCBDHFTFSA-N. The full InChI is InChI=1S/C11H14ClN3O2.2ClH/c12-7-4-9(10(11(13)16)15-5-7)17-6-8-2-1-3-14-8;;/h4-5,8,14H,1-3,6H2,(H2,13,16);2*1H/t8-;;/m1../s1.
What are the key properties of 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride?
5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 328.63 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 66962076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).