4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine

C23H23N5O — CID 20744789

IUPAC4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine
SMILESNc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1
InChIInChI=1S/C23H23N5O/c24-19(11-18-13-28-22-4-2-1-3-21(18)22)15-29-20-9-17(12-26-14-20)6-5-16-7-8-27-23(25)10-16/h1-10,12-14,19,28H,11,15,24H2,(H2,25,27)/b6-5+/t19-/m0/s1
InChIKeyNGPBCOMMIVWVIT-UEKDZROGSA-N
MW385.47 g/mol
LogP3.66
Rot. Bonds7

About 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine

4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine (PubChem CID 20744789) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine
PubChem CID20744789
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine
SMILESNc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1
InChIInChI=1S/C23H23N5O/c24-19(11-18-13-28-22-4-2-1-3-21(18)22)15-29-20-9-17(12-26-14-20)6-5-16-7-8-27-23(25)10-16/h1-10,12-14,19,28H,11,15,24H2,(H2,25,27)/b6-5+/t19-/m0/s1
InChIKeyNGPBCOMMIVWVIT-UEKDZROGSA-N
XLogP3.66
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine?
The IUPAC name of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine (CID 20744789) is 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine.
What is the SMILES notation for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine?
The canonical SMILES for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine is Nc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1.
What is the InChIKey of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine?
The InChIKey is NGPBCOMMIVWVIT-UEKDZROGSA-N. The full InChI is InChI=1S/C23H23N5O/c24-19(11-18-13-28-22-4-2-1-3-21(18)22)15-29-20-9-17(12-26-14-20)6-5-16-7-8-27-23(25)10-16/h1-10,12-14,19,28H,11,15,24H2,(H2,25,27)/b6-5+/t19-/m0/s1.
What are the key properties of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine?
4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine has a molecular weight of 385.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]pyridin-2-amine is sourced from PubChem (CID 20744789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).