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

C24H24ClN5O — CID 58614840

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCN(C)CC1
InChIInChI=1S/C24H24ClN5O/c1-29-12-14-30(15-13-29)23(26)17-5-7-18(8-6-17)24(31)28-19-9-10-21(25)20(16-19)22-4-2-3-11-27-22/h2-11,16,26H,12-15H2,1H3,(H,28,31)/b26-23-
InChIKeyCHXKHBJZNMIEAQ-RWEWTDSWSA-N
MW433.94 g/mol
LogP4.23
Rot. Bonds4

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

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide (PubChem CID 58614840) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
PubChem CID58614840
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCN(C)CC1
InChIInChI=1S/C24H24ClN5O/c1-29-12-14-30(15-13-29)23(26)17-5-7-18(8-6-17)24(31)28-19-9-10-21(25)20(16-19)22-4-2-3-11-27-22/h2-11,16,26H,12-15H2,1H3,(H,28,31)/b26-23-
InChIKeyCHXKHBJZNMIEAQ-RWEWTDSWSA-N
XLogP4.23
TPSA72.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(piperidine-1-carboximidoyl)benzamide
CID 58614731
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-(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
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
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
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide
CID 158152681
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
CID 170123949

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide (CID 58614840) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCN(C)CC1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
The InChIKey is CHXKHBJZNMIEAQ-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-29-12-14-30(15-13-29)23(26)17-5-7-18(8-6-17)24(31)28-19-9-10-21(25)20(16-19)22-4-2-3-11-27-22/h2-11,16,26H,12-15H2,1H3,(H,28,31)/b26-23-.
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide has a molecular weight of 433.94 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide is sourced from PubChem (CID 58614840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).