N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide

C24H24N4O2 — CID 10126724

IUPACN-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C24H24N4O2/c1-16(29)28-21-8-6-17(7-9-21)18-11-22(14-26-12-18)30-15-20(25)10-19-13-27-24-5-3-2-4-23(19)24/h2-9,11-14,20,27H,10,15,25H2,1H3,(H,28,29)/t20-/m0/s1
InChIKeyZDDCPXDMNGMWAB-FQEVSTJZSA-N
MW400.48 g/mol
LogP4.14
Rot. Bonds7

About N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide

N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide (PubChem CID 10126724) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide
PubChem CID10126724
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C24H24N4O2/c1-16(29)28-21-8-6-17(7-9-21)18-11-22(14-26-12-18)30-15-20(25)10-19-13-27-24-5-3-2-4-23(19)24/h2-9,11-14,20,27H,10,15,25H2,1H3,(H,28,29)/t20-/m0/s1
InChIKeyZDDCPXDMNGMWAB-FQEVSTJZSA-N
XLogP4.14
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide (CID 10126724) is N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1.
What is the InChIKey of N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide?
The InChIKey is ZDDCPXDMNGMWAB-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(29)28-21-8-6-17(7-9-21)18-11-22(14-26-12-18)30-15-20(25)10-19-13-27-24-5-3-2-4-23(19)24/h2-9,11-14,20,27H,10,15,25H2,1H3,(H,28,29)/t20-/m0/s1.
What are the key properties of N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide?
N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 10126724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).