N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide

C23H27N5O2 — CID 56531701

IUPACN-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
SMILESCC(C)(C)c1cc(NC(=O)CCCNC(=O)c2ccccc2)n(-c2ccccn2)n1
InChIInChI=1S/C23H27N5O2/c1-23(2,3)18-16-20(28(27-18)19-12-7-8-14-24-19)26-21(29)13-9-15-25-22(30)17-10-5-4-6-11-17/h4-8,10-12,14,16H,9,13,15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyBBBHARAVYFUAJI-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.71
Rot. Bonds7

About N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide

N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide (PubChem CID 56531701) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
PubChem CID56531701
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
SMILESCC(C)(C)c1cc(NC(=O)CCCNC(=O)c2ccccc2)n(-c2ccccn2)n1
InChIInChI=1S/C23H27N5O2/c1-23(2,3)18-16-20(28(27-18)19-12-7-8-14-24-19)26-21(29)13-9-15-25-22(30)17-10-5-4-6-11-17/h4-8,10-12,14,16H,9,13,15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyBBBHARAVYFUAJI-UHFFFAOYSA-N
XLogP3.71
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)propanamide
CID 99787256
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(4-ethoxyphenyl)propanamide
CID 56550449
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 56531464
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56550411
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(1H-indol-3-yl)propanamide
CID 56531767
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56531536
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 56550578
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
N'-(3-tert-butyl-1-phenylpyrazol-5-yl)-N-(3-methoxypropyl)butanediamide
CID 4242290
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide (CID 56531701) is N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide is CC(C)(C)c1cc(NC(=O)CCCNC(=O)c2ccccc2)n(-c2ccccn2)n1.
What is the InChIKey of N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide?
The InChIKey is BBBHARAVYFUAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-23(2,3)18-16-20(28(27-18)19-12-7-8-14-24-19)26-21(29)13-9-15-25-22(30)17-10-5-4-6-11-17/h4-8,10-12,14,16H,9,13,15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide?
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 56531701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).