N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide

C26H26FN3O4 — CID 90659707

IUPACN-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
SMILESCC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C26H26FN3O4/c1-14(2)33-16-10-8-15(9-11-16)20-13-12-18-21(26(3,4)24(31)30-25(28)32)17-6-5-7-19(27)22(17)34-23(18)29-20/h5-14,21H,1-4H3,(H3,28,30,31,32)/t21-/m0/s1
InChIKeyJRVIFDWEUCYEBN-NRFANRHFSA-N
MW463.51 g/mol
LogP5.13
Rot. Bonds5

About N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide

N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide (PubChem CID 90659707) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
PubChem CID90659707
Molecular FormulaC26H26FN3O4
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC NameN-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
SMILESCC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C26H26FN3O4/c1-14(2)33-16-10-8-15(9-11-16)20-13-12-18-21(26(3,4)24(31)30-25(28)32)17-6-5-7-19(27)22(17)34-23(18)29-20/h5-14,21H,1-4H3,(H3,28,30,31,32)/t21-/m0/s1
InChIKeyJRVIFDWEUCYEBN-NRFANRHFSA-N
XLogP5.13
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.51
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide?
The IUPAC name of N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide (CID 90659707) is N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide?
The canonical SMILES for N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide is CC(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)C(=O)NC(N)=O)cc1.
What is the InChIKey of N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide?
The InChIKey is JRVIFDWEUCYEBN-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-14(2)33-16-10-8-15(9-11-16)20-13-12-18-21(26(3,4)24(31)30-25(28)32)17-6-5-7-19(27)22(17)34-23(18)29-20/h5-14,21H,1-4H3,(H3,28,30,31,32)/t21-/m0/s1.
What are the key properties of N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide?
N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide has a molecular weight of 463.51 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(5S)-9-fluoro-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide is sourced from PubChem (CID 90659707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).