N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide

C18H21FN4O2 — CID 131897637

IUPACN-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C18H21FN4O2/c1-13-5-6-15(19)8-16(13)22-17(24)10-21-18(25)12-23(2)11-14-4-3-7-20-9-14/h3-9H,10-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyACNAQWZSQXBNAX-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.72
Rot. Bonds7

About N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide

N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide (PubChem CID 131897637) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
PubChem CID131897637
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)CN(C)Cc1cccnc1
InChIInChI=1S/C18H21FN4O2/c1-13-5-6-15(19)8-16(13)22-17(24)10-21-18(25)12-23(2)11-14-4-3-7-20-9-14/h3-9H,10-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyACNAQWZSQXBNAX-UHFFFAOYSA-N
XLogP1.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide 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

N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18085894
N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
CID 9251811
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 133121337
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 118782931
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 135088813
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 136607663
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 91762097
2-[methyl(pyridin-3-ylmethyl)amino]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 91780682

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide (CID 131897637) is N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide is Cc1ccc(F)cc1NC(=O)CNC(=O)CN(C)Cc1cccnc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide?
The InChIKey is ACNAQWZSQXBNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-5-6-15(19)8-16(13)22-17(24)10-21-18(25)12-23(2)11-14-4-3-7-20-9-14/h3-9H,10-12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide has a molecular weight of 344.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 131897637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).