N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

C27H37N5O7 — CID 118253171

IUPACN-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
SMILESCOC[C@@H]1CN(c2ccc(NC(=O)c3coc4c3C(=O)NC(C)(C)C4)c(OCC(C)(C)O)n2)CCN1C(C)=O
InChIInChI=1S/C27H37N5O7/c1-16(33)32-10-9-31(12-17(32)13-37-6)21-8-7-19(25(29-21)39-15-27(4,5)36)28-23(34)18-14-38-20-11-26(2,3)30-24(35)22(18)20/h7-8,14,17,36H,9-13,15H2,1-6H3,(H,28,34)(H,30,35)/t17-/m0/s1
InChIKeyRVFKGFICULXNDY-KRWDZBQOSA-N
MW543.62 g/mol
LogP1.82
Rot. Bonds8

About N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118253171) has the molecular formula C27H37N5O7 and a molecular weight of 543.62 g/mol. Its IUPAC name is N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
PubChem CID118253171
Molecular FormulaC27H37N5O7
Molecular Weight543.62 g/mol
Exact Mass543.27
IUPAC NameN-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
SMILESCOC[C@@H]1CN(c2ccc(NC(=O)c3coc4c3C(=O)NC(C)(C)C4)c(OCC(C)(C)O)n2)CCN1C(C)=O
InChIInChI=1S/C27H37N5O7/c1-16(33)32-10-9-31(12-17(32)13-37-6)21-8-7-19(25(29-21)39-15-27(4,5)36)28-23(34)18-14-38-20-11-26(2,3)30-24(35)22(18)20/h7-8,14,17,36H,9-13,15H2,1-6H3,(H,28,34)(H,30,35)/t17-/m0/s1
InChIKeyRVFKGFICULXNDY-KRWDZBQOSA-N
XLogP1.82
TPSA146.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118253171) is N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is COC[C@@H]1CN(c2ccc(NC(=O)c3coc4c3C(=O)NC(C)(C)C4)c(OCC(C)(C)O)n2)CCN1C(C)=O.
What is the InChIKey of N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is RVFKGFICULXNDY-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H37N5O7/c1-16(33)32-10-9-31(12-17(32)13-37-6)21-8-7-19(25(29-21)39-15-27(4,5)36)28-23(34)18-14-38-20-11-26(2,3)30-24(35)22(18)20/h7-8,14,17,36H,9-13,15H2,1-6H3,(H,28,34)(H,30,35)/t17-/m0/s1.
What are the key properties of N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 543.62 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118253171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).