4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide

C24H25N3O2 — CID 153360723

IUPAC4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-3-23(28)27(4-2)22-13-11-20(12-14-22)19-7-9-21(10-8-19)24(29)26-17-18-6-5-15-25-16-18/h5-16H,3-4,17H2,1-2H3,(H,26,29)
InChIKeyCPYJZMGKQCTSRL-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.44
Rot. Bonds7

About 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 153360723) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID153360723
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-3-23(28)27(4-2)22-13-11-20(12-14-22)19-7-9-21(10-8-19)24(29)26-17-18-6-5-15-25-16-18/h5-16H,3-4,17H2,1-2H3,(H,26,29)
InChIKeyCPYJZMGKQCTSRL-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 50945648
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 153360818
3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 175769101
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide (CID 153360723) is 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide is CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is CPYJZMGKQCTSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-23(28)27(4-2)22-13-11-20(12-14-22)19-7-9-21(10-8-19)24(29)26-17-18-6-5-15-25-16-18/h5-16H,3-4,17H2,1-2H3,(H,26,29).
What are the key properties of 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 153360723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).