4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide

C17H18F2N4O2 — CID 71865628

IUPAC4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)NCCc2cc(F)ccc2F)ccn1
InChIInChI=1S/C17H18F2N4O2/c1-23(2)16(24)15-10-13(6-8-20-15)22-17(25)21-7-5-11-9-12(18)3-4-14(11)19/h3-4,6,8-10H,5,7H2,1-2H3,(H2,20,21,22,25)
InChIKeyWBKAKYDQYXPQJJ-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.43
Rot. Bonds5

About 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide

4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 71865628) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID71865628
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)NCCc2cc(F)ccc2F)ccn1
InChIInChI=1S/C17H18F2N4O2/c1-23(2)16(24)15-10-13(6-8-20-15)22-17(25)21-7-5-11-9-12(18)3-4-14(11)19/h3-4,6,8-10H,5,7H2,1-2H3,(H2,20,21,22,25)
InChIKeyWBKAKYDQYXPQJJ-UHFFFAOYSA-N
XLogP2.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71981705
N,N-dimethyl-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]pyridine-2-carboxamide
CID 96502320
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704565
2-(2,5-difluorophenyl)ethylurea
CID 115168493
N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 133492320
N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide
CID 138027773
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide (CID 71865628) is 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(NC(=O)NCCc2cc(F)ccc2F)ccn1.
What is the InChIKey of 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is WBKAKYDQYXPQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-23(2)16(24)15-10-13(6-8-20-15)22-17(25)21-7-5-11-9-12(18)3-4-14(11)19/h3-4,6,8-10H,5,7H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 71865628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).