2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone

C23H29N5O3 — CID 147438497

IUPAC2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone
SMILESCCCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)c(N)oc2c1
InChIInChI=1S/C23H29N5O3/c1-3-4-14-7-19-21(27-9-14)20(23(25)31-19)18(29)8-15-10-26-6-5-17(15)28-11-13(2)22(30)16(24)12-28/h5-7,9-10,13,16,22,30H,3-4,8,11-12,24-25H2,1-2H3/t13-,16+,22+/m0/s1
InChIKeyDVTCUAUJKXHMAR-JWCWZOIMSA-N
MW423.52 g/mol
LogP2.33
Rot. Bonds6

About 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone

2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone (PubChem CID 147438497) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone
PubChem CID147438497
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone
SMILESCCCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)c(N)oc2c1
InChIInChI=1S/C23H29N5O3/c1-3-4-14-7-19-21(27-9-14)20(23(25)31-19)18(29)8-15-10-26-6-5-17(15)28-11-13(2)22(30)16(24)12-28/h5-7,9-10,13,16,22,30H,3-4,8,11-12,24-25H2,1-2H3/t13-,16+,22+/m0/s1
InChIKeyDVTCUAUJKXHMAR-JWCWZOIMSA-N
XLogP2.33
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone?
The IUPAC name of 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone (CID 147438497) is 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone?
The canonical SMILES for 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone is CCCc1cnc2c(C(=O)Cc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)c(N)oc2c1.
What is the InChIKey of 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone?
The InChIKey is DVTCUAUJKXHMAR-JWCWZOIMSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-3-4-14-7-19-21(27-9-14)20(23(25)31-19)18(29)8-15-10-26-6-5-17(15)28-11-13(2)22(30)16(24)12-28/h5-7,9-10,13,16,22,30H,3-4,8,11-12,24-25H2,1-2H3/t13-,16+,22+/m0/s1.
What are the key properties of 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone?
2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone has a molecular weight of 423.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-1-(2-amino-6-propylfuro[3,2-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 147438497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).