2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide

C18H23N3O — CID 22937449

IUPAC2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide
SMILESCC(C(N)=O)C(CCc1ccncc1)CCc1ccncc1
InChIInChI=1S/C18H23N3O/c1-14(18(19)22)17(4-2-15-6-10-20-11-7-15)5-3-16-8-12-21-13-9-16/h6-14,17H,2-5H2,1H3,(H2,19,22)
InChIKeyJRJRRWZMLCGBOD-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.78
Rot. Bonds8

About 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide

2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide (PubChem CID 22937449) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide
PubChem CID22937449
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide
SMILESCC(C(N)=O)C(CCc1ccncc1)CCc1ccncc1
InChIInChI=1S/C18H23N3O/c1-14(18(19)22)17(4-2-15-6-10-20-11-7-15)5-3-16-8-12-21-13-9-16/h6-14,17H,2-5H2,1H3,(H2,19,22)
InChIKeyJRJRRWZMLCGBOD-UHFFFAOYSA-N
XLogP2.78
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
CID 79392378
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
2-methyl-5-pyridin-4-ylpent-1-en-3-amine
CID 105163804
3-pyridin-4-ylpropyl 2-methylpentanoate
CID 78841674
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide?
The IUPAC name of 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide (CID 22937449) is 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide.
What is the SMILES notation for 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide?
The canonical SMILES for 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide is CC(C(N)=O)C(CCc1ccncc1)CCc1ccncc1.
What is the InChIKey of 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide?
The InChIKey is JRJRRWZMLCGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(18(19)22)17(4-2-15-6-10-20-11-7-15)5-3-16-8-12-21-13-9-16/h6-14,17H,2-5H2,1H3,(H2,19,22).
What are the key properties of 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide?
2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide has a molecular weight of 297.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide is sourced from PubChem (CID 22937449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).