N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C13H17Cl2N3O — CID 8538810

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N3O/c1-9-3-2-4-18(7-9)8-12(19)17-13-11(15)5-10(14)6-16-13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,19)/t9-/m0/s1
InChIKeyAHCWFJRLXZOKKB-VIFPVBQESA-N
MW302.20 g/mol
LogP3.06
Rot. Bonds3

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

N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 8538810) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID8538810
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N3O/c1-9-3-2-4-18(7-9)8-12(19)17-13-11(15)5-10(14)6-16-13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,19)/t9-/m0/s1
InChIKeyAHCWFJRLXZOKKB-VIFPVBQESA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115966875
N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316860
N-(3,5-dichloro-2-pyridinyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81219701
2-[1-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617732
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 102682516
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681882
ethyl 4-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8538802
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8693382
N-(3,5-dichloro-2-pyridinyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468508
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 8538810) is N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is C[C@H]1CCCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is AHCWFJRLXZOKKB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-9-3-2-4-18(7-9)8-12(19)17-13-11(15)5-10(14)6-16-13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,19)/t9-/m0/s1.
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8538810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).