2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

C25H34N4O3 — CID 91651593

IUPAC2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C25H34N4O3/c1-4-31-23-17-20(29-14-12-28(13-15-29)18(2)3)8-9-22(23)27-25(30)19-10-11-26-24(16-19)32-21-6-5-7-21/h8-11,16-18,21H,4-7,12-15H2,1-3H3,(H,27,30)
InChIKeyLOQDGXGMAMCZPS-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.19
Rot. Bonds8

About 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 91651593) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID91651593
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C25H34N4O3/c1-4-31-23-17-20(29-14-12-28(13-15-29)18(2)3)8-9-22(23)27-25(30)19-10-11-26-24(16-19)32-21-6-5-7-21/h8-11,16-18,21H,4-7,12-15H2,1-3H3,(H,27,30)
InChIKeyLOQDGXGMAMCZPS-UHFFFAOYSA-N
XLogP4.19
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (CID 91651593) is 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is CCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)c1ccnc(OC2CCC2)c1.
What is the InChIKey of 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is LOQDGXGMAMCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-4-31-23-17-20(29-14-12-28(13-15-29)18(2)3)8-9-22(23)27-25(30)19-10-11-26-24(16-19)32-21-6-5-7-21/h8-11,16-18,21H,4-7,12-15H2,1-3H3,(H,27,30).
What are the key properties of 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 91651593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).