N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide

C25H20FN5O2 — CID 142724092

IUPACN-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESO=C(CF)Nc1ccccc1-c1cccc(NC(=O)c2cncc(Nc3cccnc3)c2)c1
InChIInChI=1S/C25H20FN5O2/c26-13-24(32)31-23-9-2-1-8-22(23)17-5-3-6-19(11-17)30-25(33)18-12-21(16-28-14-18)29-20-7-4-10-27-15-20/h1-12,14-16,29H,13H2,(H,30,33)(H,31,32)
InChIKeyIXZRLHIJDTYHHF-UHFFFAOYSA-N
MW441.47 g/mol
LogP5.05
Rot. Bonds7

About N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide

N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 142724092) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID142724092
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC NameN-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESO=C(CF)Nc1ccccc1-c1cccc(NC(=O)c2cncc(Nc3cccnc3)c2)c1
InChIInChI=1S/C25H20FN5O2/c26-13-24(32)31-23-9-2-1-8-22(23)17-5-3-6-19(11-17)30-25(33)18-12-21(16-28-14-18)29-20-7-4-10-27-15-20/h1-12,14-16,29H,13H2,(H,30,33)(H,31,32)
InChIKeyIXZRLHIJDTYHHF-UHFFFAOYSA-N
XLogP5.05
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.47
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide
CID 142723865
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243411
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide
CID 142724075
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide (CID 142724092) is N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide is O=C(CF)Nc1ccccc1-c1cccc(NC(=O)c2cncc(Nc3cccnc3)c2)c1.
What is the InChIKey of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is IXZRLHIJDTYHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c26-13-24(32)31-23-9-2-1-8-22(23)17-5-3-6-19(11-17)30-25(33)18-12-21(16-28-14-18)29-20-7-4-10-27-15-20/h1-12,14-16,29H,13H2,(H,30,33)(H,31,32).
What are the key properties of N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide?
N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 5.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 142724092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).