2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol

C32H30N6O5 — CID 144675128

IUPAC2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol
SMILESCO.NNC(=O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)N5CCCCC5C=O)on4)cc3)cc2)nc2ccncc12
InChIInChI=1S/C31H26N6O4.CH4O/c32-35-30(39)24-15-27(34-26-12-13-33-17-25(24)26)21-8-4-19(5-9-21)20-6-10-22(11-7-20)28-16-29(41-36-28)31(40)37-14-2-1-3-23(37)18-38;1-2/h4-13,15-18,23H,1-3,14,32H2,(H,35,39);2H,1H3
InChIKeyMRMRDLSOCKZOKR-UHFFFAOYSA-N
MW578.63 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol

2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol (PubChem CID 144675128) has the molecular formula C32H30N6O5 and a molecular weight of 578.63 g/mol. Its IUPAC name is 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol.

Molecular Properties

Compound Name2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol
PubChem CID144675128
Molecular FormulaC32H30N6O5
Molecular Weight578.63 g/mol
Exact Mass578.23
IUPAC Name2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol
SMILESCO.NNC(=O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)N5CCCCC5C=O)on4)cc3)cc2)nc2ccncc12
InChIInChI=1S/C31H26N6O4.CH4O/c32-35-30(39)24-15-27(34-26-12-13-33-17-25(24)26)21-8-4-19(5-9-21)20-6-10-22(11-7-20)28-16-29(41-36-28)31(40)37-14-2-1-3-23(37)18-38;1-2/h4-13,15-18,23H,1-3,14,32H2,(H,35,39);2H,1H3
InChIKeyMRMRDLSOCKZOKR-UHFFFAOYSA-N
XLogP4.02
TPSA164.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.63
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol?
The IUPAC name of 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol (CID 144675128) is 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol.
What is the SMILES notation for 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol?
The canonical SMILES for 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol is CO.NNC(=O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)N5CCCCC5C=O)on4)cc3)cc2)nc2ccncc12.
What is the InChIKey of 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol?
The InChIKey is MRMRDLSOCKZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O4.CH4O/c32-35-30(39)24-15-27(34-26-12-13-33-17-25(24)26)21-8-4-19(5-9-21)20-6-10-22(11-7-20)28-16-29(41-36-28)31(40)37-14-2-1-3-23(37)18-38;1-2/h4-13,15-18,23H,1-3,14,32H2,(H,35,39);2H,1H3.
What are the key properties of 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol?
2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol has a molecular weight of 578.63 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol is sourced from PubChem (CID 144675128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).