5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide

C20H17ClFN3O2 — CID 133477282

IUPAC5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2ccc(OCc3ccccc3F)cc2)c(Cl)c1
InChIInChI=1S/C20H17ClFN3O2/c21-17-9-15(19(23)26)11-25-20(17)24-10-13-5-7-16(8-6-13)27-12-14-3-1-2-4-18(14)22/h1-9,11H,10,12H2,(H2,23,26)(H,24,25)
InChIKeyDEQGCGMKXXSEDH-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.16
Rot. Bonds7

About 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide

5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133477282) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133477282
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2ccc(OCc3ccccc3F)cc2)c(Cl)c1
InChIInChI=1S/C20H17ClFN3O2/c21-17-9-15(19(23)26)11-25-20(17)24-10-13-5-7-16(8-6-13)27-12-14-3-1-2-4-18(14)22/h1-9,11H,10,12H2,(H2,23,26)(H,24,25)
InChIKeyDEQGCGMKXXSEDH-UHFFFAOYSA-N
XLogP4.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-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

6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridazine-3-carboxamide
CID 133477298
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133272654
5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 56798988
5-chloro-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-pyridazin-6-one
CID 133477281
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
CID 133294464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide (CID 133477282) is 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(NCc2ccc(OCc3ccccc3F)cc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is DEQGCGMKXXSEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-17-9-15(19(23)26)11-25-20(17)24-10-13-5-7-16(8-6-13)27-12-14-3-1-2-4-18(14)22/h1-9,11H,10,12H2,(H2,23,26)(H,24,25).
What are the key properties of 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide?
5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133477282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).