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

C24H25N3O2 — CID 108926353

IUPACN-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-11-9-18(10-12-20)22(28)26-15-17-6-4-8-21(14-17)27-23(29)19-7-5-13-25-16-19/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQAUORCMDOLMUKX-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.56
Rot. Bonds5

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

N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926353) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926353
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-11-9-18(10-12-20)22(28)26-15-17-6-4-8-21(14-17)27-23(29)19-7-5-13-25-16-19/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQAUORCMDOLMUKX-UHFFFAOYSA-N
XLogP4.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 108926353) is N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is QAUORCMDOLMUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(2,3)20-11-9-18(10-12-20)22(28)26-15-17-6-4-8-21(14-17)27-23(29)19-7-5-13-25-16-19/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).