N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide

C27H32N4O2 — CID 45489437

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H32N4O2/c1-26(2,3)21-11-13-22(14-12-21)31(25(33)20-10-8-16-29-18-20)23(19-9-7-15-28-17-19)24(32)30-27(4,5)6/h7-18,23H,1-6H3,(H,30,32)
InChIKeyNSXLEFPJMRRSKS-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.08
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide (PubChem CID 45489437) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
PubChem CID45489437
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H32N4O2/c1-26(2,3)21-11-13-22(14-12-21)31(25(33)20-10-8-16-29-18-20)23(19-9-7-15-28-17-19)24(32)30-27(4,5)6/h7-18,23H,1-6H3,(H,30,32)
InChIKeyNSXLEFPJMRRSKS-UHFFFAOYSA-N
XLogP5.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide (CID 45489437) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
The InChIKey is NSXLEFPJMRRSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-26(2,3)21-11-13-22(14-12-21)31(25(33)20-10-8-16-29-18-20)23(19-9-7-15-28-17-19)24(32)30-27(4,5)6/h7-18,23H,1-6H3,(H,30,32).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 45489437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).