N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide

C21H21N3O — CID 126722806

IUPACN-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc(-c3ccccc3)cnc2N)cc1
InChIInChI=1S/C21H21N3O/c1-2-6-15-9-11-17(12-10-15)21(25)24-19-13-18(14-23-20(19)22)16-7-4-3-5-8-16/h3-5,7-14H,2,6H2,1H3,(H2,22,23)(H,24,25)
InChIKeyPNYZLRVNDVJPAW-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.54
Rot. Bonds5

About N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide

N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide (PubChem CID 126722806) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide
PubChem CID126722806
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc(-c3ccccc3)cnc2N)cc1
InChIInChI=1S/C21H21N3O/c1-2-6-15-9-11-17(12-10-15)21(25)24-19-13-18(14-23-20(19)22)16-7-4-3-5-8-16/h3-5,7-14H,2,6H2,1H3,(H2,22,23)(H,24,25)
InChIKeyPNYZLRVNDVJPAW-UHFFFAOYSA-N
XLogP4.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-5-phenyl-3-pyridinyl)-4-(3-methylbutyl)benzamide
CID 174615601
[4-[4-amino-3-[(4-propylbenzoyl)amino]phenyl]phenyl] thiohypoiodite
CID 126723287
phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone
CID 59538560
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
N-[2-(2-phenylethynyl)phenyl]-4-propylbenzamide
CID 2248969
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide
CID 15106554
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide?
The IUPAC name of N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide (CID 126722806) is N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide.
What is the SMILES notation for N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide?
The canonical SMILES for N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide is CCCc1ccc(C(=O)Nc2cc(-c3ccccc3)cnc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide?
The InChIKey is PNYZLRVNDVJPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-6-15-9-11-17(12-10-15)21(25)24-19-13-18(14-23-20(19)22)16-7-4-3-5-8-16/h3-5,7-14H,2,6H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide?
N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide is sourced from PubChem (CID 126722806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).