N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide

C28H24N4O3 — CID 154193724

IUPACN-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)C(C)(c1ccc(NC(=O)c2cccnc2)cc1)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C28H24N4O3/c1-19(33)28(2,22-7-11-24(12-8-22)31-26(34)20-5-3-15-29-17-20)23-9-13-25(14-10-23)32-27(35)21-6-4-16-30-18-21/h3-18H,1-2H3,(H,31,34)(H,32,35)
InChIKeyZQFZJACGJSTMLP-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.88
Rot. Bonds7

About N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide

N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 154193724) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID154193724
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC NameN-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide
SMILESCC(=O)C(C)(c1ccc(NC(=O)c2cccnc2)cc1)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C28H24N4O3/c1-19(33)28(2,22-7-11-24(12-8-22)31-26(34)20-5-3-15-29-17-20)23-9-13-25(14-10-23)32-27(35)21-6-4-16-30-18-21/h3-18H,1-2H3,(H,31,34)(H,32,35)
InChIKeyZQFZJACGJSTMLP-UHFFFAOYSA-N
XLogP4.88
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
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N-[4-(acetylcarbamothioylamino)phenyl]pyridine-3-carboxamide
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4-tert-butyl-N-pyridin-3-ylbenzamide
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N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
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CID 31974220
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 122188018
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
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CID 175209394

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide (CID 154193724) is N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide is CC(=O)C(C)(c1ccc(NC(=O)c2cccnc2)cc1)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZQFZJACGJSTMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-19(33)28(2,22-7-11-24(12-8-22)31-26(34)20-5-3-15-29-17-20)23-9-13-25(14-10-23)32-27(35)21-6-4-16-30-18-21/h3-18H,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide?
N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154193724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).