N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide

C16H19N3O — CID 63063621

IUPACN-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccncc2N)cc1
InChIInChI=1S/C16H19N3O/c1-16(2,3)12-6-4-11(5-7-12)15(20)19-14-8-9-18-10-13(14)17/h4-10H,17H2,1-3H3,(H,18,19,20)
InChIKeyPXBVHAXYUWEWSL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.21
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide

N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide (PubChem CID 63063621) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
PubChem CID63063621
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccncc2N)cc1
InChIInChI=1S/C16H19N3O/c1-16(2,3)12-6-4-11(5-7-12)15(20)19-14-8-9-18-10-13(14)17/h4-10H,17H2,1-3H3,(H,18,19,20)
InChIKeyPXBVHAXYUWEWSL-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741
N-(3-amino-4-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63084907
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
CID 63062252
N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-(3-amino-4-pyridinyl)-2,6-dihydroxybenzamide
CID 107687654
N-(3-amino-4-pyridinyl)-5-methylthiophene-2-carboxamide
CID 63062085
N-(3-amino-4-pyridinyl)-2-iodobenzamide
CID 63061561
N-(3-amino-4-pyridinyl)-2-bromofuran-3-carboxamide
CID 106850810

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide (CID 63063621) is N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2ccncc2N)cc1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide?
The InChIKey is PXBVHAXYUWEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,3)12-6-4-11(5-7-12)15(20)19-14-8-9-18-10-13(14)17/h4-10H,17H2,1-3H3,(H,18,19,20).
What are the key properties of N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide?
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide has a molecular weight of 269.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide is sourced from PubChem (CID 63063621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).