6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide

C28H24N6O4 — CID 71208802

IUPAC6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1c(-c2ncco2)[nH]c2ncccc2c1=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C28H24N6O4/c35-25-20-7-4-10-29-26(20)32-24(28-30-11-14-38-28)22(25)23(18-5-2-1-3-6-18)33-27(36)19-8-9-21(31-17-19)34-12-15-37-16-13-34/h1-11,14,17,23H,12-13,15-16H2,(H,33,36)(H,29,32,35)
InChIKeyFVFPIRUVOYXIHB-UHFFFAOYSA-N
MW508.54 g/mol
LogP3.33
Rot. Bonds6

About 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide

6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide (PubChem CID 71208802) has the molecular formula C28H24N6O4 and a molecular weight of 508.54 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide
PubChem CID71208802
Molecular FormulaC28H24N6O4
Molecular Weight508.54 g/mol
Exact Mass508.19
IUPAC Name6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1c(-c2ncco2)[nH]c2ncccc2c1=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C28H24N6O4/c35-25-20-7-4-10-29-26(20)32-24(28-30-11-14-38-28)22(25)23(18-5-2-1-3-6-18)33-27(36)19-8-9-21(31-17-19)34-12-15-37-16-13-34/h1-11,14,17,23H,12-13,15-16H2,(H,33,36)(H,29,32,35)
InChIKeyFVFPIRUVOYXIHB-UHFFFAOYSA-N
XLogP3.33
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide (CID 71208802) is 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1c(-c2ncco2)[nH]c2ncccc2c1=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is FVFPIRUVOYXIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4/c35-25-20-7-4-10-29-26(20)32-24(28-30-11-14-38-28)22(25)23(18-5-2-1-3-6-18)33-27(36)19-8-9-21(31-17-19)34-12-15-37-16-13-34/h1-11,14,17,23H,12-13,15-16H2,(H,33,36)(H,29,32,35).
What are the key properties of 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide?
6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide has a molecular weight of 508.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1H-1,8-naphthyridin-3-yl]-phenylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71208802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).