4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide

C26H23FN6O3 — CID 71621935

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cn1
InChIInChI=1S/C26H23FN6O3/c1-2-28-26(35)33-23-14-22(31-18-6-4-3-5-7-18)21(16-29-23)25(34)32-19-10-13-24(30-15-19)36-20-11-8-17(27)9-12-20/h3-16H,2H2,1H3,(H,32,34)(H3,28,29,31,33,35)
InChIKeyJLBPVISRYYVZNG-UHFFFAOYSA-N
MW486.51 g/mol
LogP5.55
Rot. Bonds8

About 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide

4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 71621935) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID71621935
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cn1
InChIInChI=1S/C26H23FN6O3/c1-2-28-26(35)33-23-14-22(31-18-6-4-3-5-7-18)21(16-29-23)25(34)32-19-10-13-24(30-15-19)36-20-11-8-17(27)9-12-20/h3-16H,2H2,1H3,(H,32,34)(H3,28,29,31,33,35)
InChIKeyJLBPVISRYYVZNG-UHFFFAOYSA-N
XLogP5.55
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.51
LogP ≤ 55.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 71621638
4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158104035
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 129094682
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]pentan-3-ylphosphonic acid
CID 129094660
4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 71622215
(2R)-1-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-tert-butylpyrrolidine-2-carboxylic acid
CID 129094720
[[5-[[6-(ethylcarbamoylamino)-4-(pyridin-3-ylamino)pyridine-3-carbonyl]amino]-2-pyridinyl]amino]methyl 1-methylcyclobutane-1-carboxylate
CID 129094652
1-[4-anilino-5-(morpholine-4-carbonyl)-2-pyridinyl]-3-ethylurea
CID 71621323
4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one
CID 157325414
2-[[4-[[4-(3-chloro-4-fluoroanilino)-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]methyl]butanoic acid
CID 129094705
6-(ethylcarbamoylamino)-4-(3,4,5-trifluoroanilino)pyridine-3-carboxamide
CID 141371382
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 55713973

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 71621935) is 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cn1.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is JLBPVISRYYVZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-2-28-26(35)33-23-14-22(31-18-6-4-3-5-7-18)21(16-29-23)25(34)32-19-10-13-24(30-15-19)36-20-11-8-17(27)9-12-20/h3-16H,2H2,1H3,(H,32,34)(H3,28,29,31,33,35).
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 5.55, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 71621935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).