6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide

C30H28N6O4 — CID 71217334

IUPAC6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C30H28N6O4/c37-19-20-10-14-35(15-11-20)25-9-8-21(17-33-25)29(39)34-18-24-26(30-32-13-16-40-30)36(22-5-2-1-3-6-22)28-23(27(24)38)7-4-12-31-28/h1-9,12-13,16-17,20,37H,10-11,14-15,18-19H2,(H,34,39)
InChIKeyOKDGRBUIXURZHN-UHFFFAOYSA-N
MW536.59 g/mol
LogP3.57
Rot. Bonds7

About 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide

6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 71217334) has the molecular formula C30H28N6O4 and a molecular weight of 536.59 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID71217334
Molecular FormulaC30H28N6O4
Molecular Weight536.59 g/mol
Exact Mass536.22
IUPAC Name6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C30H28N6O4/c37-19-20-10-14-35(15-11-20)25-9-8-21(17-33-25)29(39)34-18-24-26(30-32-13-16-40-30)36(22-5-2-1-3-6-22)28-23(27(24)38)7-4-12-31-28/h1-9,12-13,16-17,20,37H,10-11,14-15,18-19H2,(H,34,39)
InChIKeyOKDGRBUIXURZHN-UHFFFAOYSA-N
XLogP3.57
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.59
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide (CID 71217334) is 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccc(N2CCC(CO)CC2)nc1.
What is the InChIKey of 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is OKDGRBUIXURZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O4/c37-19-20-10-14-35(15-11-20)25-9-8-21(17-33-25)29(39)34-18-24-26(30-32-13-16-40-30)36(22-5-2-1-3-6-22)28-23(27(24)38)7-4-12-31-28/h1-9,12-13,16-17,20,37H,10-11,14-15,18-19H2,(H,34,39).
What are the key properties of 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide?
6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)piperidin-1-yl]-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71217334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).