2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide

C18H21FN4O2 — CID 112529514

IUPAC2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)NCCc2cccc(F)c2)ccn1
InChIInChI=1S/C18H21FN4O2/c1-23(2)18(25)22-12-16-11-14(7-9-20-16)17(24)21-8-6-13-4-3-5-15(19)10-13/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOPXCEIPJQXERNH-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.96
Rot. Bonds6

About 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide

2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 112529514) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID112529514
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)NCCc2cccc(F)c2)ccn1
InChIInChI=1S/C18H21FN4O2/c1-23(2)18(25)22-12-16-11-14(7-9-20-16)17(24)21-8-6-13-4-3-5-15(19)10-13/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOPXCEIPJQXERNH-UHFFFAOYSA-N
XLogP1.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide 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

2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 39471295
2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 112522300
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamidomethyl)pyridine-4-carboxamide
CID 112529108
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-(1,3-benzodioxol-5-ylmethyl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112522065
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 112529514) is 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide is CN(C)C(=O)NCc1cc(C(=O)NCCc2cccc(F)c2)ccn1.
What is the InChIKey of 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is OPXCEIPJQXERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-23(2)18(25)22-12-16-11-14(7-9-20-16)17(24)21-8-6-13-4-3-5-15(19)10-13/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 112529514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).