6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide

C25H27FN6O3 — CID 68759976

IUPAC6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(F)c(NC(=O)N3CCCC3)c2)cc1NCCc1ccccc1O
InChIInChI=1S/C25H27FN6O3/c26-19-8-7-17(13-21(19)31-25(35)32-11-3-4-12-32)30-23-14-20(18(15-29-23)24(27)34)28-10-9-16-5-1-2-6-22(16)33/h1-2,5-8,13-15,33H,3-4,9-12H2,(H2,27,34)(H,31,35)(H2,28,29,30)
InChIKeyQEUOKMUGRVFWHU-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.05
Rot. Bonds8

About 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide

6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 68759976) has the molecular formula C25H27FN6O3 and a molecular weight of 478.53 g/mol. Its IUPAC name is 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID68759976
Molecular FormulaC25H27FN6O3
Molecular Weight478.53 g/mol
Exact Mass478.21
IUPAC Name6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(F)c(NC(=O)N3CCCC3)c2)cc1NCCc1ccccc1O
InChIInChI=1S/C25H27FN6O3/c26-19-8-7-17(13-21(19)31-25(35)32-11-3-4-12-32)30-23-14-20(18(15-29-23)24(27)34)28-10-9-16-5-1-2-6-22(16)33/h1-2,5-8,13-15,33H,3-4,9-12H2,(H2,27,34)(H,31,35)(H2,28,29,30)
InChIKeyQEUOKMUGRVFWHU-UHFFFAOYSA-N
XLogP4.05
TPSA132.61 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 58098696
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[(2-hydroxy-1-phenylethyl)amino]pyridine-3-carboxamide
CID 66841364
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67501703
4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
CID 56969798
4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide
CID 67501618
6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 56970431
6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 89012362
4-(benzylamino)-6-[4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]anilino]pyridine-3-carboxamide
CID 87394872
4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502230
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
CID 67502269
6-[4-[4-(2-cyanoacetyl)piperazin-1-yl]anilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67423885
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide (CID 68759976) is 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(F)c(NC(=O)N3CCCC3)c2)cc1NCCc1ccccc1O.
What is the InChIKey of 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is QEUOKMUGRVFWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O3/c26-19-8-7-17(13-21(19)31-25(35)32-11-3-4-12-32)30-23-14-20(18(15-29-23)24(27)34)28-10-9-16-5-1-2-6-22(16)33/h1-2,5-8,13-15,33H,3-4,9-12H2,(H2,27,34)(H,31,35)(H2,28,29,30).
What are the key properties of 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide?
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 68759976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).