N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C13H18Cl2N4O — CID 115316860

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCCN1CC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-16-7-10-3-2-4-19(10)8-12(20)18-13-11(15)5-9(14)6-17-13/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,18,20)
InChIKeyDFVFOPFEJIVTAC-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.01
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 115316860) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID115316860
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCCN1CC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-16-7-10-3-2-4-19(10)8-12(20)18-13-11(15)5-9(14)6-17-13/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,18,20)
InChIKeyDFVFOPFEJIVTAC-UHFFFAOYSA-N
XLogP2.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-2-pyridinyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468508
N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8538810
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409
N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755103
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-(3,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490166
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928402
N-(3-chloro-4-cyanophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316750
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119928312
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 115316860) is N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CNCC1CCCN1CC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is DFVFOPFEJIVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c1-16-7-10-3-2-4-19(10)8-12(20)18-13-11(15)5-9(14)6-17-13/h5-6,10,16H,2-4,7-8H2,1H3,(H,17,18,20).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 317.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 115316860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).