N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide

C24H23ClN4O2 — CID 170123949

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
SMILESCc1cc(C(=O)N2CCNCC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C24H23ClN4O2/c1-16-14-17(24(31)29-12-10-26-11-13-29)5-7-19(16)23(30)28-18-6-8-21(25)20(15-18)22-4-2-3-9-27-22/h2-9,14-15,26H,10-13H2,1H3,(H,28,30)
InChIKeyBGRFHVQJHPFLLB-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.01
Rot. Bonds4

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide (PubChem CID 170123949) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
PubChem CID170123949
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
SMILESCc1cc(C(=O)N2CCNCC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C24H23ClN4O2/c1-16-14-17(24(31)29-12-10-26-11-13-29)5-7-19(16)23(30)28-18-6-8-21(25)20(15-18)22-4-2-3-9-27-22/h2-9,14-15,26H,10-13H2,1H3,(H,28,30)
InChIKeyBGRFHVQJHPFLLB-UHFFFAOYSA-N
XLogP4.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-iodo-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide
CID 70797621
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 58614726
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
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 58614731
4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 58614771
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide (CID 170123949) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide is Cc1cc(C(=O)N2CCNCC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide?
The InChIKey is BGRFHVQJHPFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-16-14-17(24(31)29-12-10-26-11-13-29)5-7-19(16)23(30)28-18-6-8-21(25)20(15-18)22-4-2-3-9-27-22/h2-9,14-15,26H,10-13H2,1H3,(H,28,30).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide has a molecular weight of 434.93 g/mol, XLogP of 4.01, 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)-2-methyl-4-(piperazine-1-carbonyl)benzamide is sourced from PubChem (CID 170123949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).