N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide

C25H28N4O5 — CID 71546835

IUPACN-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide
SMILESO=C(NCC1CCC1)c1nc(OCCOCCO)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C25H28N4O5/c30-12-13-33-14-15-34-22-9-8-21(23(29-22)25(32)27-16-17-4-3-5-17)28-24(31)19-10-11-26-20-7-2-1-6-18(19)20/h1-2,6-11,17,30H,3-5,12-16H2,(H,27,32)(H,28,31)
InChIKeyIEHNWZUXAKHDHY-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.80
Rot. Bonds11

About N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide

N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide (PubChem CID 71546835) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide
PubChem CID71546835
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC NameN-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide
SMILESO=C(NCC1CCC1)c1nc(OCCOCCO)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C25H28N4O5/c30-12-13-33-14-15-34-22-9-8-21(23(29-22)25(32)27-16-17-4-3-5-17)28-24(31)19-10-11-26-20-7-2-1-6-18(19)20/h1-2,6-11,17,30H,3-5,12-16H2,(H,27,32)(H,28,31)
InChIKeyIEHNWZUXAKHDHY-UHFFFAOYSA-N
XLogP2.80
TPSA122.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide (CID 71546835) is N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide is O=C(NCC1CCC1)c1nc(OCCOCCO)ccc1NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide?
The InChIKey is IEHNWZUXAKHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c30-12-13-33-14-15-34-22-9-8-21(23(29-22)25(32)27-16-17-4-3-5-17)28-24(31)19-10-11-26-20-7-2-1-6-18(19)20/h1-2,6-11,17,30H,3-5,12-16H2,(H,27,32)(H,28,31).
What are the key properties of N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide?
N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 2.80, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclobutylmethylcarbamoyl)-6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 71546835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).