2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide

C23H17ClFN5O2 — CID 171481437

IUPAC2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESNc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(F)cc3)cc2Cl)ccn1
InChIInChI=1S/C23H17ClFN5O2/c24-19-12-16(7-8-20(19)32-17-9-11-27-21(26)13-17)29-22-18(2-1-10-28-22)23(31)30-15-5-3-14(25)4-6-15/h1-13H,(H2,26,27)(H,28,29)(H,30,31)
InChIKeyMXANIERAJOGBOW-UHFFFAOYSA-N
MW449.87 g/mol
LogP5.64
Rot. Bonds6

About 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide

2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 171481437) has the molecular formula C23H17ClFN5O2 and a molecular weight of 449.87 g/mol. Its IUPAC name is 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID171481437
Molecular FormulaC23H17ClFN5O2
Molecular Weight449.87 g/mol
Exact Mass449.11
IUPAC Name2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESNc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(F)cc3)cc2Cl)ccn1
InChIInChI=1S/C23H17ClFN5O2/c24-19-12-16(7-8-20(19)32-17-9-11-27-21(26)13-17)29-22-18(2-1-10-28-22)23(31)30-15-5-3-14(25)4-6-15/h1-13H,(H2,26,27)(H,28,29)(H,30,31)
InChIKeyMXANIERAJOGBOW-UHFFFAOYSA-N
XLogP5.64
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.87
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-amino-4-pyridinyl)oxy]-3-fluoroanilino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 171481464
2-[4-[(2-acetamido-4-pyridinyl)oxy]-3-chloroanilino]-N-[2-[3-(dimethylamino)propoxy]-4-fluorophenyl]pyridine-3-carboxamide
CID 171481446
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 46851683
2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 171481540
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
2-[4-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]oxy]-3-chloroanilino]pyridine-3-carboxylic acid
CID 175583235
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 171481437) is 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide is Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(F)cc3)cc2Cl)ccn1.
What is the InChIKey of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is MXANIERAJOGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O2/c24-19-12-16(7-8-20(19)32-17-9-11-27-21(26)13-17)29-22-18(2-1-10-28-22)23(31)30-15-5-3-14(25)4-6-15/h1-13H,(H2,26,27)(H,28,29)(H,30,31).
What are the key properties of 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 449.87 g/mol, XLogP of 5.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 171481437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).