N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide

C29H24N4O3 — CID 72704103

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H24N4O3/c34-28(20-7-6-10-24(17-20)36-23-8-2-1-3-9-23)33-27(29(35)32-22-13-15-30-16-14-22)18-21-19-31-26-12-5-4-11-25(21)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1
InChIKeyANYJUYRFXWNCOY-MHZLTWQESA-N
MW476.54 g/mol
LogP5.34
Rot. Bonds8

About N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide (PubChem CID 72704103) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide
PubChem CID72704103
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H24N4O3/c34-28(20-7-6-10-24(17-20)36-23-8-2-1-3-9-23)33-27(29(35)32-22-13-15-30-16-14-22)18-21-19-31-26-12-5-4-11-25(21)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1
InChIKeyANYJUYRFXWNCOY-MHZLTWQESA-N
XLogP5.34
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide (CID 72704103) is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide?
The InChIKey is ANYJUYRFXWNCOY-MHZLTWQESA-N. The full InChI is InChI=1S/C29H24N4O3/c34-28(20-7-6-10-24(17-20)36-23-8-2-1-3-9-23)33-27(29(35)32-22-13-15-30-16-14-22)18-21-19-31-26-12-5-4-11-25(21)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide?
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide has a molecular weight of 476.54 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-3-phenoxybenzamide is sourced from PubChem (CID 72704103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).