N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide

C24H22ClFN4O3 — CID 59585443

IUPACN-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C
InChIInChI=1S/C24H22ClFN4O3/c1-30(2)23(27)15-5-8-18(20(26)10-15)21(31)11-14-4-7-17(33-3)12-19(14)24(32)29-22-9-6-16(25)13-28-22/h4-10,12-13,27H,11H2,1-3H3,(H,28,29,32)/b27-23-
InChIKeyDMFOTWINEGMVJU-VYIQYICTSA-N
MW468.92 g/mol
LogP4.45
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide

N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide (PubChem CID 59585443) has the molecular formula C24H22ClFN4O3 and a molecular weight of 468.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide
PubChem CID59585443
Molecular FormulaC24H22ClFN4O3
Molecular Weight468.92 g/mol
Exact Mass468.14
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C
InChIInChI=1S/C24H22ClFN4O3/c1-30(2)23(27)15-5-8-18(20(26)10-15)21(31)11-14-4-7-17(33-3)12-19(14)24(32)29-22-9-6-16(25)13-28-22/h4-10,12-13,27H,11H2,1-3H3,(H,28,29,32)/b27-23-
InChIKeyDMFOTWINEGMVJU-VYIQYICTSA-N
XLogP4.45
TPSA95.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Betrixaban
CID 10275777
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea
CID 475283
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]urea
CID 475282
N-(2-(5-chloropyridin-2-ylcarbamoyl)-4-methoxyphenyl)-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10298858
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-(trifluoromethoxy)benzamide
CID 44565789
N-[5-(4-Methoxyphenyl)pyridin-2-yl]benzamide
CID 24949559
N-{2-[4-(5-Chloro-pyridin-2-yl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 44369020
N-(2-(5-chloropyridin-2-ylcarbamoyl)-4-methoxyphenyl)-4-(N,N-dimethylcarbamimidoyl)-2-(piperidin-1-yl)benzamide
CID 44419109
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)-3-methoxybenzamido)benzamide
CID 44565759
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-(2,2,2-trifluoroethoxy)benzamide
CID 44565790
4-[2-(ethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 155517870

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide (CID 59585443) is N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccc(OC)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide?
The InChIKey is DMFOTWINEGMVJU-VYIQYICTSA-N. The full InChI is InChI=1S/C24H22ClFN4O3/c1-30(2)23(27)15-5-8-18(20(26)10-15)21(31)11-14-4-7-17(33-3)12-19(14)24(32)29-22-9-6-16(25)13-28-22/h4-10,12-13,27H,11H2,1-3H3,(H,28,29,32)/b27-23-.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide?
N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide has a molecular weight of 468.92 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methoxybenzamide is sourced from PubChem (CID 59585443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).