2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide

C13H17Cl2N3O — CID 8538814

IUPAC2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-7-11(15)13(16-8-10)17-12(19)9-18-5-3-1-2-4-6-18/h7-8H,1-6,9H2,(H,16,17,19)
InChIKeyKJNFPKBGOCJJOK-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.20
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide

2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide (PubChem CID 8538814) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
PubChem CID8538814
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-7-11(15)13(16-8-10)17-12(19)9-18-5-3-1-2-4-6-18/h7-8H,1-6,9H2,(H,16,17,19)
InChIKeyKJNFPKBGOCJJOK-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8693382
N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8538810
ethyl 4-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8538802
N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8616226
2-[1-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617732
N-(3,5-dichloro-2-pyridinyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81219701
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
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-(3,5-dichloro-2-pyridinyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468508
N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755103
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide (CID 8538814) is 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide is O=C(CN1CCCCCC1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The InChIKey is KJNFPKBGOCJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-10-7-11(15)13(16-8-10)17-12(19)9-18-5-3-1-2-4-6-18/h7-8H,1-6,9H2,(H,16,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide is sourced from PubChem (CID 8538814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).