N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide

C20H18ClN3O — CID 23740078

IUPACN-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)nc1
InChIInChI=1S/C20H18ClN3O/c1-2-3-14-4-10-18(22-12-14)15-5-7-16(8-6-15)20(25)24-19-11-9-17(21)13-23-19/h4-13H,2-3H2,1H3,(H,23,24,25)
InChIKeyBGGUSMYKYHEKHL-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.00
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide

N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide (PubChem CID 23740078) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
PubChem CID23740078
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)nc1
InChIInChI=1S/C20H18ClN3O/c1-2-3-14-4-10-18(22-12-14)15-5-7-16(8-6-15)20(25)24-19-11-9-17(21)13-23-19/h4-13H,2-3H2,1H3,(H,23,24,25)
InChIKeyBGGUSMYKYHEKHL-UHFFFAOYSA-N
XLogP5.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 11304509
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
CID 169198581
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
N-(5-chloro-2-pyridinyl)-2,5-diethylbenzamide
CID 70908062
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
[4-(5-propyl-2-pyridinyl)phenyl] 4-butoxybenzoate
CID 5027544

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide (CID 23740078) is N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide is CCCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide?
The InChIKey is BGGUSMYKYHEKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-2-3-14-4-10-18(22-12-14)15-5-7-16(8-6-15)20(25)24-19-11-9-17(21)13-23-19/h4-13H,2-3H2,1H3,(H,23,24,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide?
N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide has a molecular weight of 351.84 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide is sourced from PubChem (CID 23740078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).