N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide

C27H32N2O2 — CID 86681796

IUPACN-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1
InChIInChI=1S/C27H32N2O2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21/h6-15,18-20H,16-17H2,1-5H3
InChIKeyBKTJTCQDFAAHJE-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.29
Rot. Bonds7

About N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide

N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 86681796) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID86681796
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1
InChIInChI=1S/C27H32N2O2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21/h6-15,18-20H,16-17H2,1-5H3
InChIKeyBKTJTCQDFAAHJE-UHFFFAOYSA-N
XLogP6.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide (CID 86681796) is N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1cccc(-c2ccc(C(=O)N(CCc3ccccc3)OC(C)(C)C)nc2)c1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is BKTJTCQDFAAHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-20(2)22-12-9-13-23(18-22)24-14-15-25(28-19-24)26(30)29(31-27(3,4)5)17-16-21-10-7-6-8-11-21/h6-15,18-20H,16-17H2,1-5H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide?
N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 86681796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).