7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one

C26H33N5O3 — CID 155298888

IUPAC7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
SMILESCC(=O)N1CCC(Nc2cc3c(cn2)CCN(C[C@H](O)[C@@H]2Cc4ccccc4CN2)C3=O)CC1
InChIInChI=1S/C26H33N5O3/c1-17(32)30-10-7-21(8-11-30)29-25-13-22-20(15-28-25)6-9-31(26(22)34)16-24(33)23-12-18-4-2-3-5-19(18)14-27-23/h2-5,13,15,21,23-24,27,33H,6-12,14,16H2,1H3,(H,28,29)/t23-,24-/m0/s1
InChIKeyGKHYUTBVGYQEFQ-ZEQRLZLVSA-N
MW463.58 g/mol
LogP1.58
Rot. Bonds5

About 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one

7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one (PubChem CID 155298888) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
PubChem CID155298888
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one
SMILESCC(=O)N1CCC(Nc2cc3c(cn2)CCN(C[C@H](O)[C@@H]2Cc4ccccc4CN2)C3=O)CC1
InChIInChI=1S/C26H33N5O3/c1-17(32)30-10-7-21(8-11-30)29-25-13-22-20(15-28-25)6-9-31(26(22)34)16-24(33)23-12-18-4-2-3-5-19(18)14-27-23/h2-5,13,15,21,23-24,27,33H,6-12,14,16H2,1H3,(H,28,29)/t23-,24-/m0/s1
InChIKeyGKHYUTBVGYQEFQ-ZEQRLZLVSA-N
XLogP1.58
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
The IUPAC name of 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one (CID 155298888) is 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one.
What is the SMILES notation for 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
The canonical SMILES for 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one is CC(=O)N1CCC(Nc2cc3c(cn2)CCN(C[C@H](O)[C@@H]2Cc4ccccc4CN2)C3=O)CC1.
What is the InChIKey of 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
The InChIKey is GKHYUTBVGYQEFQ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17(32)30-10-7-21(8-11-30)29-25-13-22-20(15-28-25)6-9-31(26(22)34)16-24(33)23-12-18-4-2-3-5-19(18)14-27-23/h2-5,13,15,21,23-24,27,33H,6-12,14,16H2,1H3,(H,28,29)/t23-,24-/m0/s1.
What are the key properties of 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one?
7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one has a molecular weight of 463.58 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-acetylpiperidin-4-yl)amino]-2-[(2S)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-3,4-dihydro-2,6-naphthyridin-1-one is sourced from PubChem (CID 155298888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).