N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

C26H25N5O3 — CID 87562404

IUPACN-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(N2CC(N3CCOCC3)C2)c1
InChIInChI=1S/C26H25N5O3/c32-26(29-33)22-14-24(21-7-5-19(6-8-21)3-4-20-2-1-9-27-16-20)28-25(15-22)31-17-23(18-31)30-10-12-34-13-11-30/h1-2,5-9,14-16,23,33H,10-13,17-18H2,(H,29,32)
InChIKeyYDDAFAFFYOYLNZ-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.18
Rot. Bonds4

About N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (PubChem CID 87562404) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
PubChem CID87562404
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(N2CC(N3CCOCC3)C2)c1
InChIInChI=1S/C26H25N5O3/c32-26(29-33)22-14-24(21-7-5-19(6-8-21)3-4-20-2-1-9-27-16-20)28-25(15-22)31-17-23(18-31)30-10-12-34-13-11-30/h1-2,5-9,14-16,23,33H,10-13,17-18H2,(H,29,32)
InChIKeyYDDAFAFFYOYLNZ-UHFFFAOYSA-N
XLogP2.18
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide (CID 87562404) is N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is O=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(N2CC(N3CCOCC3)C2)c1.
What is the InChIKey of N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
The InChIKey is YDDAFAFFYOYLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c32-26(29-33)22-14-24(21-7-5-19(6-8-21)3-4-20-2-1-9-27-16-20)28-25(15-22)31-17-23(18-31)30-10-12-34-13-11-30/h1-2,5-9,14-16,23,33H,10-13,17-18H2,(H,29,32).
What are the key properties of N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide?
N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-morpholin-4-ylazetidin-1-yl)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87562404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).