N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide

C23H23N3O2 — CID 31974220

IUPACN-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C23H23N3O2/c1-23(2,3)18-12-10-16(11-13-18)21(27)25-19-8-4-5-9-20(19)26-22(28)17-7-6-14-24-15-17/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyIXMYBLCLCPPWIA-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.88
Rot. Bonds4

About N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 31974220) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID31974220
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C23H23N3O2/c1-23(2,3)18-12-10-16(11-13-18)21(27)25-19-8-4-5-9-20(19)26-22(28)17-7-6-14-24-15-17/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyIXMYBLCLCPPWIA-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide (CID 31974220) is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is IXMYBLCLCPPWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-23(2,3)18-12-10-16(11-13-18)21(27)25-19-8-4-5-9-20(19)26-22(28)17-7-6-14-24-15-17/h4-15H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide?
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 31974220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).