5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide

C13H19ClN2O3 — CID 43697910

IUPAC5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
SMILESCOCCOc1ccc(NC(=O)CCCCCl)cn1
InChIInChI=1S/C13H19ClN2O3/c1-18-8-9-19-13-6-5-11(10-15-13)16-12(17)4-2-3-7-14/h5-6,10H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyIWTMNQZTCZLXTM-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.45
Rot. Bonds9

About 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide

5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide (PubChem CID 43697910) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
PubChem CID43697910
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
SMILESCOCCOc1ccc(NC(=O)CCCCCl)cn1
InChIInChI=1S/C13H19ClN2O3/c1-18-8-9-19-13-6-5-11(10-15-13)16-12(17)4-2-3-7-14/h5-6,10H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyIWTMNQZTCZLXTM-UHFFFAOYSA-N
XLogP2.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
3-(cyclopropylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 60867259
2-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569275
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
2-(butan-2-ylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 60853381
N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
CID 55743155

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide?
The IUPAC name of 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide (CID 43697910) is 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide?
The canonical SMILES for 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide is COCCOc1ccc(NC(=O)CCCCCl)cn1.
What is the InChIKey of 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide?
The InChIKey is IWTMNQZTCZLXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-8-9-19-13-6-5-11(10-15-13)16-12(17)4-2-3-7-14/h5-6,10H,2-4,7-9H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide?
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide has a molecular weight of 286.76 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide is sourced from PubChem (CID 43697910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).