N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride

C15H17ClN2O — CID 3024849

IUPACN-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride
SMILESCCC(=O)N(Cc1cccnc1)c1ccccc1.Cl
InChIInChI=1S/C15H16N2O.ClH/c1-2-15(18)17(14-8-4-3-5-9-14)12-13-7-6-10-16-11-13;/h3-11H,2,12H2,1H3;1H
InChIKeyBQTBRADKKYPYHZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.45
Rot. Bonds4

About N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride

N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 3024849) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride
PubChem CID3024849
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride
SMILESCCC(=O)N(Cc1cccnc1)c1ccccc1.Cl
InChIInChI=1S/C15H16N2O.ClH/c1-2-15(18)17(14-8-4-3-5-9-14)12-13-7-6-10-16-11-13;/h3-11H,2,12H2,1H3;1H
InChIKeyBQTBRADKKYPYHZ-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride (CID 3024849) is N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride is CCC(=O)N(Cc1cccnc1)c1ccccc1.Cl.
What is the InChIKey of N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is BQTBRADKKYPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.ClH/c1-2-15(18)17(14-8-4-3-5-9-14)12-13-7-6-10-16-11-13;/h3-11H,2,12H2,1H3;1H.
What are the key properties of N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride?
N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(pyridin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 3024849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).