N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

C29H27FN6O4 — CID 24964993

IUPACN-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCc1cnc(Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C29H27FN6O4/c1-19-15-23(28(37)34-20-5-3-2-4-6-20)27(32-18-19)33-21-7-8-25(24(30)16-21)40-22-9-10-31-26(17-22)35-29(38)36-11-13-39-14-12-36/h2-10,15-18H,11-14H2,1H3,(H,32,33)(H,34,37)(H,31,35,38)
InChIKeyIUIOJGOSCIVQPI-UHFFFAOYSA-N
MW542.57 g/mol
LogP5.58
Rot. Bonds7

About N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 24964993) has the molecular formula C29H27FN6O4 and a molecular weight of 542.57 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID24964993
Molecular FormulaC29H27FN6O4
Molecular Weight542.57 g/mol
Exact Mass542.21
IUPAC NameN-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCc1cnc(Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C29H27FN6O4/c1-19-15-23(28(37)34-20-5-3-2-4-6-20)27(32-18-19)33-21-7-8-25(24(30)16-21)40-22-9-10-31-26(17-22)35-29(38)36-11-13-39-14-12-36/h2-10,15-18H,11-14H2,1H3,(H,32,33)(H,34,37)(H,31,35,38)
InChIKeyIUIOJGOSCIVQPI-UHFFFAOYSA-N
XLogP5.58
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (CID 24964993) is N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is Cc1cnc(Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is IUIOJGOSCIVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O4/c1-19-15-23(28(37)34-20-5-3-2-4-6-20)27(32-18-19)33-21-7-8-25(24(30)16-21)40-22-9-10-31-26(17-22)35-29(38)36-11-13-39-14-12-36/h2-10,15-18H,11-14H2,1H3,(H,32,33)(H,34,37)(H,31,35,38).
What are the key properties of N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 5.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[5-methyl-3-(phenylcarbamoyl)-2-pyridinyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 24964993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).