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

C23H22N4O2 — CID 23646958

IUPAC4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C23H22N4O2/c24-19(9-18-12-27-22-4-2-1-3-21(18)22)14-29-20-10-17(11-26-13-20)15-5-7-16(8-6-15)23(25)28/h1-8,10-13,19,27H,9,14,24H2,(H2,25,28)/t19-/m0/s1
InChIKeyZQGCVZAWSFLXOG-IBGZPJMESA-N
MW386.46 g/mol
LogP3.28
Rot. Bonds7

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

4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide (PubChem CID 23646958) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide
PubChem CID23646958
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C23H22N4O2/c24-19(9-18-12-27-22-4-2-1-3-21(18)22)14-29-20-10-17(11-26-13-20)15-5-7-16(8-6-15)23(25)28/h1-8,10-13,19,27H,9,14,24H2,(H2,25,28)/t19-/m0/s1
InChIKeyZQGCVZAWSFLXOG-IBGZPJMESA-N
XLogP3.28
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide?
The IUPAC name of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide (CID 23646958) is 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide?
The canonical SMILES for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)cc1.
What is the InChIKey of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide?
The InChIKey is ZQGCVZAWSFLXOG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22N4O2/c24-19(9-18-12-27-22-4-2-1-3-21(18)22)14-29-20-10-17(11-26-13-20)15-5-7-16(8-6-15)23(25)28/h1-8,10-13,19,27H,9,14,24H2,(H2,25,28)/t19-/m0/s1.
What are the key properties of 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide?
4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 23646958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).