N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride

C20H26ClN3O2 — CID 171707004

IUPACN-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCCOc1cccnc1NC(=O)Cc1ccc(CC2CCNC2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-25-18-4-3-10-22-20(18)23-19(24)13-16-7-5-15(6-8-16)12-17-9-11-21-14-17;/h3-8,10,17,21H,2,9,11-14H2,1H3,(H,22,23,24);1H
InChIKeyFKJUEEHJSNCOJK-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.24
Rot. Bonds7

About N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride

N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride (PubChem CID 171707004) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
PubChem CID171707004
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCCOc1cccnc1NC(=O)Cc1ccc(CC2CCNC2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-2-25-18-4-3-10-22-20(18)23-19(24)13-16-7-5-15(6-8-16)12-17-9-11-21-14-17;/h3-8,10,17,21H,2,9,11-14H2,1H3,(H,22,23,24);1H
InChIKeyFKJUEEHJSNCOJK-UHFFFAOYSA-N
XLogP3.24
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109298
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide
CID 166616860
N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707098
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171710628
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 82260260
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707924
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride (CID 171707004) is N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride is CCOc1cccnc1NC(=O)Cc1ccc(CC2CCNC2)cc1.Cl.
What is the InChIKey of N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The InChIKey is FKJUEEHJSNCOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-2-25-18-4-3-10-22-20(18)23-19(24)13-16-7-5-15(6-8-16)12-17-9-11-21-14-17;/h3-8,10,17,21H,2,9,11-14H2,1H3,(H,22,23,24);1H.
What are the key properties of N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171707004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).