4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide

C24H25N3O3 — CID 147449748

IUPAC4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N(CCO)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-23(29)27(14-15-28)22-11-9-20(10-12-22)19-5-7-21(8-6-19)24(30)26-17-18-4-3-13-25-16-18/h3-13,16,28H,2,14-15,17H2,1H3,(H,26,30)
InChIKeyDXVFBZSBNSZWQV-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.41
Rot. Bonds8

About 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 147449748) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID147449748
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N(CCO)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-23(29)27(14-15-28)22-11-9-20(10-12-22)19-5-7-21(8-6-19)24(30)26-17-18-4-3-13-25-16-18/h3-13,16,28H,2,14-15,17H2,1H3,(H,26,30)
InChIKeyDXVFBZSBNSZWQV-UHFFFAOYSA-N
XLogP3.41
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
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
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
3-[2-methylpropyl(propanoyl)amino]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 175769101
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
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-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide (CID 147449748) is 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide is CCC(=O)N(CCO)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DXVFBZSBNSZWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-23(29)27(14-15-28)22-11-9-20(10-12-22)19-5-7-21(8-6-19)24(30)26-17-18-4-3-13-25-16-18/h3-13,16,28H,2,14-15,17H2,1H3,(H,26,30).
What are the key properties of 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 147449748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).