1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide

C23H16FN7O2 — CID 71578441

IUPAC1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ncnc3nc[nH]c23)cc1)c1cccn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C23H16FN7O2/c24-14-3-1-4-17(11-14)31-10-2-5-18(23(31)33)22(32)30-16-8-6-15(7-9-16)29-21-19-20(26-12-25-19)27-13-28-21/h1-13H,(H,30,32)(H2,25,26,27,28,29)
InChIKeyHFONFGGWUOXEJB-UHFFFAOYSA-N
MW441.43 g/mol
LogP3.64
Rot. Bonds5

About 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide

1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide (PubChem CID 71578441) has the molecular formula C23H16FN7O2 and a molecular weight of 441.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide
PubChem CID71578441
Molecular FormulaC23H16FN7O2
Molecular Weight441.43 g/mol
Exact Mass441.13
IUPAC Name1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ncnc3nc[nH]c23)cc1)c1cccn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C23H16FN7O2/c24-14-3-1-4-17(11-14)31-10-2-5-18(23(31)33)22(32)30-16-8-6-15(7-9-16)29-21-19-20(26-12-25-19)27-13-28-21/h1-13H,(H,30,32)(H2,25,26,27,28,29)
InChIKeyHFONFGGWUOXEJB-UHFFFAOYSA-N
XLogP3.64
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71579393
N-[4-[[5-[3-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 170950568
N-[4-[4-amino-7-(1-methylpiperidin-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 122512925
1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175789882
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
4-(7H-purin-6-ylamino)benzenesulfonic acid
CID 22147127
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003
1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
CID 71678236
1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936933
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 7620011

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide (CID 71578441) is 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2ncnc3nc[nH]c23)cc1)c1cccn(-c2cccc(F)c2)c1=O.
What is the InChIKey of 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is HFONFGGWUOXEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7O2/c24-14-3-1-4-17(11-14)31-10-2-5-18(23(31)33)22(32)30-16-8-6-15(7-9-16)29-21-19-20(26-12-25-19)27-13-28-21/h1-13H,(H,30,32)(H2,25,26,27,28,29).
What are the key properties of 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide?
1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 441.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71578441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).