N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide

C16H17ClN2O3 — CID 34134941

IUPACN-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-21-13-5-7-14(8-6-13)22-10-2-3-16(20)19-15-9-4-12(17)11-18-15/h4-9,11H,2-3,10H2,1H3,(H,18,19,20)
InChIKeyHZQQPNNFJOMSHE-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.54
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide

N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 34134941) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
PubChem CID34134941
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-21-13-5-7-14(8-6-13)22-10-2-3-16(20)19-15-9-4-12(17)11-18-15/h4-9,11H,2-3,10H2,1H3,(H,18,19,20)
InChIKeyHZQQPNNFJOMSHE-UHFFFAOYSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210203
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310
4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
CID 82034205
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2128296
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6064785
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191592
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide (CID 34134941) is N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is HZQQPNNFJOMSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-13-5-7-14(8-6-13)22-10-2-3-16(20)19-15-9-4-12(17)11-18-15/h4-9,11H,2-3,10H2,1H3,(H,18,19,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide?
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 320.78 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 34134941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).