N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide

C17H18F2N4O2 — CID 56825715

IUPACN-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN(CC(F)F)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C17H18F2N4O2/c1-23(11-15(18)19)17(25)21-10-12-3-2-4-14(9-12)22-16(24)13-5-7-20-8-6-13/h2-9,15H,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyGSOAPSVKZOLWHX-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.74
Rot. Bonds6

About N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 56825715) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID56825715
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN(CC(F)F)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C17H18F2N4O2/c1-23(11-15(18)19)17(25)21-10-12-3-2-4-14(9-12)22-16(24)13-5-7-20-8-6-13/h2-9,15H,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyGSOAPSVKZOLWHX-UHFFFAOYSA-N
XLogP2.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60540832
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55903216
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
2-(2,2-difluoroethoxy)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 71907122
N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 47064659

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 56825715) is N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide is CN(CC(F)F)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is GSOAPSVKZOLWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-23(11-15(18)19)17(25)21-10-12-3-2-4-14(9-12)22-16(24)13-5-7-20-8-6-13/h2-9,15H,10-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 56825715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).