2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide

C24H22FN5O3 — CID 137408529

IUPAC2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)n1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2ccccc21
InChIInChI=1S/C24H22FN5O3/c1-14(2)30-19-8-4-3-7-18(19)28-24(30)29-21(31)13-15-9-10-20(17(25)12-15)33-23-16(22(26)32)6-5-11-27-23/h3-12,14H,13H2,1-2H3,(H2,26,32)(H,28,29,31)
InChIKeyWJMACOOANXCIEN-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.22
Rot. Bonds7

About 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 137408529) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID137408529
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)n1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2ccccc21
InChIInChI=1S/C24H22FN5O3/c1-14(2)30-19-8-4-3-7-18(19)28-24(30)29-21(31)13-15-9-10-20(17(25)12-15)33-23-16(22(26)32)6-5-11-27-23/h3-12,14H,13H2,1-2H3,(H2,26,32)(H,28,29,31)
InChIKeyWJMACOOANXCIEN-UHFFFAOYSA-N
XLogP4.22
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 137408529) is 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide is CC(C)n1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2ccccc21.
What is the InChIKey of 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is WJMACOOANXCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-14(2)30-19-8-4-3-7-18(19)28-24(30)29-21(31)13-15-9-10-20(17(25)12-15)33-23-16(22(26)32)6-5-11-27-23/h3-12,14H,13H2,1-2H3,(H2,26,32)(H,28,29,31).
What are the key properties of 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-oxo-2-[(1-propan-2-ylbenzimidazol-2-yl)amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137408529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).