N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide

C15H15ClN2O2 — CID 1246625

IUPACN-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-13-6-2-11(3-7-13)4-9-15(19)18-14-8-5-12(16)10-17-14/h2-3,5-8,10H,4,9H2,1H3,(H,17,18,19)
InChIKeyNIEFFQFPNXTISR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.31
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide

N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 1246625) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
PubChem CID1246625
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-13-6-2-11(3-7-13)4-9-15(19)18-14-8-5-12(16)10-17-14/h2-3,5-8,10H,4,9H2,1H3,(H,17,18,19)
InChIKeyNIEFFQFPNXTISR-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide (CID 1246625) is N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is NIEFFQFPNXTISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-13-6-2-11(3-7-13)4-9-15(19)18-14-8-5-12(16)10-17-14/h2-3,5-8,10H,4,9H2,1H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 290.75 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 1246625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).