(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide

C23H27N3O3 — CID 118414035

IUPAC(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CCCCC3)c2)n1
InChIInChI=1S/C23H27N3O3/c24-23(29)22(28)21(27)19-8-4-7-18(25-19)16-9-10-20-17(13-16)11-12-26(20)14-15-5-2-1-3-6-15/h4,7-13,15,21-22,27-28H,1-3,5-6,14H2,(H2,24,29)/t21-,22+/m0/s1
InChIKeyMBYIQXSLRMDZQJ-FCHUYYIVSA-N
MW393.49 g/mol
LogP3.16
Rot. Bonds6

About (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide

(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide (PubChem CID 118414035) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide
PubChem CID118414035
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CCCCC3)c2)n1
InChIInChI=1S/C23H27N3O3/c24-23(29)22(28)21(27)19-8-4-7-18(25-19)16-9-10-20-17(13-16)11-12-26(20)14-15-5-2-1-3-6-15/h4,7-13,15,21-22,27-28H,1-3,5-6,14H2,(H2,24,29)/t21-,22+/m0/s1
InChIKeyMBYIQXSLRMDZQJ-FCHUYYIVSA-N
XLogP3.16
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The IUPAC name of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide (CID 118414035) is (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The canonical SMILES for (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide is NC(=O)[C@H](O)[C@@H](O)c1cccc(-c2ccc3c(ccn3CC3CCCCC3)c2)n1.
What is the InChIKey of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The InChIKey is MBYIQXSLRMDZQJ-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H27N3O3/c24-23(29)22(28)21(27)19-8-4-7-18(25-19)16-9-10-20-17(13-16)11-12-26(20)14-15-5-2-1-3-6-15/h4,7-13,15,21-22,27-28H,1-3,5-6,14H2,(H2,24,29)/t21-,22+/m0/s1.
What are the key properties of (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide?
(2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide has a molecular weight of 393.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[6-[1-(cyclohexylmethyl)indol-5-yl]-2-pyridinyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 118414035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).