N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide

C21H28N4O — CID 50975734

IUPACN-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
SMILESCC(C)(C)n1cc(C2=CCN(CCNC(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-21(2,3)25-16-19(15-23-25)17-9-12-24(13-10-17)14-11-22-20(26)18-7-5-4-6-8-18/h4-9,15-16H,10-14H2,1-3H3,(H,22,26)
InChIKeyITWISENENKNBIE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.16
Rot. Bonds5

About N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide

N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide (PubChem CID 50975734) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
PubChem CID50975734
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
SMILESCC(C)(C)n1cc(C2=CCN(CCNC(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C21H28N4O/c1-21(2,3)25-16-19(15-23-25)17-9-12-24(13-10-17)14-11-22-20(26)18-7-5-4-6-8-18/h4-9,15-16H,10-14H2,1-3H3,(H,22,26)
InChIKeyITWISENENKNBIE-UHFFFAOYSA-N
XLogP3.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 19096211
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026951
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide
CID 15463157
N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 86861977
1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51085868
4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 38168396
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
CID 8758998
4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide
CID 174415342
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 50963546
methyl 4-amino-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylcarbamoyl]benzoate
CID 19092298
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide (CID 50975734) is N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide is CC(C)(C)n1cc(C2=CCN(CCNC(=O)c3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
The InChIKey is ITWISENENKNBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-21(2,3)25-16-19(15-23-25)17-9-12-24(13-10-17)14-11-22-20(26)18-7-5-4-6-8-18/h4-9,15-16H,10-14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?
N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide is sourced from PubChem (CID 50975734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).