N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide

C25H26N4O3 — CID 11774751

IUPACN-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(=O)Nc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1
InChIInChI=1S/C25H26N4O3/c1-17(30)27-22-13-20(14-23(16-22)28-21-5-3-2-4-6-21)19-7-10-26-24(15-19)29-25(31)18-8-11-32-12-9-18/h2-7,10,13-16,18,28H,8-9,11-12H2,1H3,(H,27,30)(H,26,29,31)
InChIKeyFHFQXWQTCMHWQI-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.82
Rot. Bonds6

About N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide

N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 11774751) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID11774751
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC(=O)Nc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1
InChIInChI=1S/C25H26N4O3/c1-17(30)27-22-13-20(14-23(16-22)28-21-5-3-2-4-6-21)19-7-10-26-24(15-19)29-25(31)18-8-11-32-12-9-18/h2-7,10,13-16,18,28H,8-9,11-12H2,1H3,(H,27,30)(H,26,29,31)
InChIKeyFHFQXWQTCMHWQI-UHFFFAOYSA-N
XLogP4.82
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide (CID 11774751) is N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide is CC(=O)Nc1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOCC3)c2)c1.
What is the InChIKey of N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is FHFQXWQTCMHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(30)27-22-13-20(14-23(16-22)28-21-5-3-2-4-6-21)19-7-10-26-24(15-19)29-25(31)18-8-11-32-12-9-18/h2-7,10,13-16,18,28H,8-9,11-12H2,1H3,(H,27,30)(H,26,29,31).
What are the key properties of N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide?
N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 11774751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).