(2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine

C23H23N5 — CID 10172517

IUPAC(2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine
SMILESN[C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H23N5/c24-20(12-19-14-28-23-4-2-1-3-22(19)23)15-27-21-11-18(13-26-16-21)6-5-17-7-9-25-10-8-17/h1-11,13-14,16,20,27-28H,12,15,24H2/b6-5+/t20-/m0/s1
InChIKeyRIFDHCXNKIEZPC-XJDXJNMNSA-N
MW369.47 g/mol
LogP4.11
Rot. Bonds7

About (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine

(2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine (PubChem CID 10172517) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine
PubChem CID10172517
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name(2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine
SMILESN[C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H23N5/c24-20(12-19-14-28-23-4-2-1-3-22(19)23)15-27-21-11-18(13-26-16-21)6-5-17-7-9-25-10-8-17/h1-11,13-14,16,20,27-28H,12,15,24H2/b6-5+/t20-/m0/s1
InChIKeyRIFDHCXNKIEZPC-XJDXJNMNSA-N
XLogP4.11
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine (CID 10172517) is (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine is N[C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine?
The InChIKey is RIFDHCXNKIEZPC-XJDXJNMNSA-N. The full InChI is InChI=1S/C23H23N5/c24-20(12-19-14-28-23-4-2-1-3-22(19)23)15-27-21-11-18(13-26-16-21)6-5-17-7-9-25-10-8-17/h1-11,13-14,16,20,27-28H,12,15,24H2/b6-5+/t20-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine?
(2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine has a molecular weight of 369.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-1-N-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]propane-1,2-diamine is sourced from PubChem (CID 10172517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).