5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide

C25H24ClN5O2 — CID 59020840

IUPAC5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(C)cn2)cc1)N1CCCC1
InChIInChI=1S/C25H24ClN5O2/c1-16-4-11-22(28-15-16)30-25(33)20-14-19(26)9-10-21(20)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31/h4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33)/b27-23-
InChIKeyIZOCRKCXUCZKFP-VYIQYICTSA-N
MW461.95 g/mol
LogP4.97
Rot. Bonds5

About 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide

5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 59020840) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
PubChem CID59020840
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(C)cn2)cc1)N1CCCC1
InChIInChI=1S/C25H24ClN5O2/c1-16-4-11-22(28-15-16)30-25(33)20-14-19(26)9-10-21(20)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31/h4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33)/b27-23-
InChIKeyIZOCRKCXUCZKFP-VYIQYICTSA-N
XLogP4.97
TPSA98.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.97
H-Bond Donors ≤ 53
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-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10183390
N-(4-chlorophenyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728034
4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide
CID 18727742
N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 162069511
2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]phenoxy]acetic acid
CID 18727565
N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10279176
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;methane
CID 159988306
N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 59089739
3-ethoxy-5-methyl-N-(5-methyl-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 70670924
CID 89063515
CID 89063515
2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-5-bromo-N-(5-chloro-2-pyridinyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 157081924

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide (CID 59020840) is 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(C)cn2)cc1)N1CCCC1.
What is the InChIKey of 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is IZOCRKCXUCZKFP-VYIQYICTSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-16-4-11-22(28-15-16)30-25(33)20-14-19(26)9-10-21(20)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31/h4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33)/b27-23-.
What are the key properties of 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 461.95 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 59020840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).