4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide

C22H21N3O2 — CID 153360745

IUPAC4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)Nc1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-2-21(26)25-20-11-9-18(10-12-20)17-5-7-19(8-6-17)22(27)24-15-16-4-3-13-23-14-16/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBSCVLQVEXLNKNU-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.03
Rot. Bonds6

About 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 153360745) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID153360745
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)Nc1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-2-21(26)25-20-11-9-18(10-12-20)17-5-7-19(8-6-17)22(27)24-15-16-4-3-13-23-14-16/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyBSCVLQVEXLNKNU-UHFFFAOYSA-N
XLogP4.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-[3-(2-propan-2-ylphenyl)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 159445307
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
(1R,6S)-3,4-dimethyl-6-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1130084
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide (CID 153360745) is 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide is CCC(=O)Nc1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BSCVLQVEXLNKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-21(26)25-20-11-9-18(10-12-20)17-5-7-19(8-6-17)22(27)24-15-16-4-3-13-23-14-16/h3-14H,2,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 153360745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).