2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide

C28H23N5O3 — CID 90304471

IUPAC2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCOCC4)cc3)cc2)nc2ccncc12
InChIInChI=1S/C28H23N5O3/c29-32-27(34)23-17-26(31-25-11-12-30-18-24(23)25)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)28(35)33-13-15-36-16-14-33/h3-12,17-18H,13-16,29H2,(H,32,34)
InChIKeyAQUVHUVXTSVHQP-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.77
Rot. Bonds3

About 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide

2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide (PubChem CID 90304471) has the molecular formula C28H23N5O3 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
PubChem CID90304471
Molecular FormulaC28H23N5O3
Molecular Weight477.52 g/mol
Exact Mass477.18
IUPAC Name2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCOCC4)cc3)cc2)nc2ccncc12
InChIInChI=1S/C28H23N5O3/c29-32-27(34)23-17-26(31-25-11-12-30-18-24(23)25)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)28(35)33-13-15-36-16-14-33/h3-12,17-18H,13-16,29H2,(H,32,34)
InChIKeyAQUVHUVXTSVHQP-UHFFFAOYSA-N
XLogP2.77
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
The IUPAC name of 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide (CID 90304471) is 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide.
What is the SMILES notation for 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
The canonical SMILES for 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide is NNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCOCC4)cc3)cc2)nc2ccncc12.
What is the InChIKey of 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
The InChIKey is AQUVHUVXTSVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3/c29-32-27(34)23-17-26(31-25-11-12-30-18-24(23)25)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)28(35)33-13-15-36-16-14-33/h3-12,17-18H,13-16,29H2,(H,32,34).
What are the key properties of 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?
2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide has a molecular weight of 477.52 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(morpholine-4-carbonyl)phenyl]ethynyl]phenyl]-1,6-naphthyridine-4-carbohydrazide is sourced from PubChem (CID 90304471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).