5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide

C15H15ClFN3O3 — CID 56798988

IUPAC5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC(O)COc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O3/c16-13-5-9(14(18)22)6-19-15(13)20-7-11(21)8-23-12-3-1-10(17)2-4-12/h1-6,11,21H,7-8H2,(H2,18,22)(H,19,20)
InChIKeyIRUZSDDIBSTUAD-UHFFFAOYSA-N
MW339.75 g/mol
LogP1.82
Rot. Bonds7

About 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide

5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide (PubChem CID 56798988) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide
PubChem CID56798988
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC Name5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC(O)COc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O3/c16-13-5-9(14(18)22)6-19-15(13)20-7-11(21)8-23-12-3-1-10(17)2-4-12/h1-6,11,21H,7-8H2,(H2,18,22)(H,19,20)
InChIKeyIRUZSDDIBSTUAD-UHFFFAOYSA-N
XLogP1.82
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
CID 133308115
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865
3-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94664966
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
CID 111544161
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol
CID 47072410
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide (CID 56798988) is 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide is NC(=O)c1cnc(NCC(O)COc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
The InChIKey is IRUZSDDIBSTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c16-13-5-9(14(18)22)6-19-15(13)20-7-11(21)8-23-12-3-1-10(17)2-4-12/h1-6,11,21H,7-8H2,(H2,18,22)(H,19,20).
What are the key properties of 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide?
5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide has a molecular weight of 339.75 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 56798988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).