2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide

C22H22FN5O3 — CID 171481464

IUPAC2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESNc1cc(Oc2ccc(Nc3ncccc3C(=O)NC3CCOCC3)cc2F)ccn1
InChIInChI=1S/C22H22FN5O3/c23-18-12-15(3-4-19(18)31-16-5-9-25-20(24)13-16)27-21-17(2-1-8-26-21)22(29)28-14-6-10-30-11-7-14/h1-5,8-9,12-14H,6-7,10-11H2,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyICQOVCREBIWMOP-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide

2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 171481464) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID171481464
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESNc1cc(Oc2ccc(Nc3ncccc3C(=O)NC3CCOCC3)cc2F)ccn1
InChIInChI=1S/C22H22FN5O3/c23-18-12-15(3-4-19(18)31-16-5-9-25-20(24)13-16)27-21-17(2-1-8-26-21)22(29)28-14-6-10-30-11-7-14/h1-5,8-9,12-14H,6-7,10-11H2,(H2,24,25)(H,26,27)(H,28,29)
InChIKeyICQOVCREBIWMOP-UHFFFAOYSA-N
XLogP3.64
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 171481437
2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-N'-cyclohexylpropanediamide
CID 66917598
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 46851683
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
2-[4-[[2-[[2-(azetidin-3-yl)acetyl]amino]-4-pyridinyl]oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 171481438
2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 171481540
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
CID 11589321
2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 171481465
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 86964085
ethane;ethyl 2-[4-[(2-amino-3-ethynyl-4-pyridinyl)oxy]-3-fluoroanilino]pyridine-3-carboxylate
CID 143436383
2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
CID 166174931
N'-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]propanediamide
CID 59853083

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 171481464) is 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide is Nc1cc(Oc2ccc(Nc3ncccc3C(=O)NC3CCOCC3)cc2F)ccn1.
What is the InChIKey of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is ICQOVCREBIWMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c23-18-12-15(3-4-19(18)31-16-5-9-25-20(24)13-16)27-21-17(2-1-8-26-21)22(29)28-14-6-10-30-11-7-14/h1-5,8-9,12-14H,6-7,10-11H2,(H2,24,25)(H,26,27)(H,28,29).
What are the key properties of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide?
2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171481464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).