N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

C26H24FN5O4 — CID 118724060

IUPACN-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C26H24FN5O4/c1-34-21-14-18(15-22(35-2)23(21)36-3)31-24-19(6-4-12-28-24)26(33)32-20-7-5-13-29-25(20)30-17-10-8-16(27)9-11-17/h4-15H,1-3H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyBGWWNDIUIVKGEH-UHFFFAOYSA-N
MW489.51 g/mol
LogP5.38
Rot. Bonds9

About N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (PubChem CID 118724060) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
PubChem CID118724060
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC NameN-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C26H24FN5O4/c1-34-21-14-18(15-22(35-2)23(21)36-3)31-24-19(6-4-12-28-24)26(33)32-20-7-5-13-29-25(20)30-17-10-8-16(27)9-11-17/h4-15H,1-3H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyBGWWNDIUIVKGEH-UHFFFAOYSA-N
XLogP5.38
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.51
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 91663352
N-(4-phenoxy-phenyl)-3-{3-[4-(3,4,5-trimethoxy-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-2-ylamino}benzamide
CID 10233129
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
(3s)-N-[3-(Trifluoromethoxy)benzyl]-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 53495177
(3s)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-Trimethoxyphenyl)amino]pyrimidin-4-Yl}piperidine-3-Carboxamide
CID 56596558
N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 25195369
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
4-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzaldehyde
CID 11710340
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (CID 118724060) is N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is COc1cc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is BGWWNDIUIVKGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-34-21-14-18(15-22(35-2)23(21)36-3)31-24-19(6-4-12-28-24)26(33)32-20-7-5-13-29-25(20)30-17-10-8-16(27)9-11-17/h4-15H,1-3H3,(H,28,31)(H,29,30)(H,32,33).
What are the key properties of N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 5.38, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118724060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).