N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide

C24H23ClN4O — CID 58614731

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCCCC1
InChIInChI=1S/C24H23ClN4O/c25-21-12-11-19(16-20(21)22-6-2-3-13-27-22)28-24(30)18-9-7-17(8-10-18)23(26)29-14-4-1-5-15-29/h2-3,6-13,16,26H,1,4-5,14-15H2,(H,28,30)/b26-23-
InChIKeyYHHUONJIOLHWMN-RWEWTDSWSA-N
MW418.93 g/mol
LogP5.47
Rot. Bonds4

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide (PubChem CID 58614731) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
PubChem CID58614731
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCCCC1
InChIInChI=1S/C24H23ClN4O/c25-21-12-11-19(16-20(21)22-6-2-3-13-27-22)28-24(30)18-9-7-17(8-10-18)23(26)29-14-4-1-5-15-29/h2-3,6-13,16,26H,1,4-5,14-15H2,(H,28,30)/b26-23-
InChIKeyYHHUONJIOLHWMN-RWEWTDSWSA-N
XLogP5.47
TPSA69.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(morpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 161194987
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 159258212
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
CID 170123949
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 66877640

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide (CID 58614731) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCCCC1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide?
The InChIKey is YHHUONJIOLHWMN-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H23ClN4O/c25-21-12-11-19(16-20(21)22-6-2-3-13-27-22)28-24(30)18-9-7-17(8-10-18)23(26)29-14-4-1-5-15-29/h2-3,6-13,16,26H,1,4-5,14-15H2,(H,28,30)/b26-23-.
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide has a molecular weight of 418.93 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide is sourced from PubChem (CID 58614731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).