N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide

C26H25N3O2 — CID 54575159

IUPACN-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
SMILESCCCC(=O)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-6-26(30)29(18-20-7-5-16-27-17-20)23-12-14-24(15-13-23)31-19-22-11-10-21-8-3-4-9-25(21)28-22/h3-5,7-17H,2,6,18-19H2,1H3
InChIKeyJNUUQLFRNOZZEE-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.54
Rot. Bonds8

About N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide

N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide (PubChem CID 54575159) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
PubChem CID54575159
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide
SMILESCCCC(=O)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-6-26(30)29(18-20-7-5-16-27-17-20)23-12-14-24(15-13-23)31-19-22-11-10-21-8-3-4-9-25(21)28-22/h3-5,7-17H,2,6,18-19H2,1H3
InChIKeyJNUUQLFRNOZZEE-UHFFFAOYSA-N
XLogP5.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide (CID 54575159) is N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide is CCCC(=O)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
The InChIKey is JNUUQLFRNOZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-6-26(30)29(18-20-7-5-16-27-17-20)23-12-14-24(15-13-23)31-19-22-11-10-21-8-3-4-9-25(21)28-22/h3-5,7-17H,2,6,18-19H2,1H3.
What are the key properties of N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide?
N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide has a molecular weight of 411.51 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 54575159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).