N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide

C26H24N4O2 — CID 91491573

IUPACN-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide
SMILESCC(=O)N(c1cc(C2CC(NC(=O)c3ccccc3)C2)[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C26H24N4O2/c1-17(31)30(24-13-7-11-18-8-5-6-12-22(18)24)25-16-23(28-29-25)20-14-21(15-20)27-26(32)19-9-3-2-4-10-19/h2-13,16,20-21H,14-15H2,1H3,(H,27,32)(H,28,29)
InChIKeyVNGMMYBQBFNRFQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.92
Rot. Bonds5

About N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide

N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide (PubChem CID 91491573) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide
PubChem CID91491573
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide
SMILESCC(=O)N(c1cc(C2CC(NC(=O)c3ccccc3)C2)[nH]n1)c1cccc2ccccc12
InChIInChI=1S/C26H24N4O2/c1-17(31)30(24-13-7-11-18-8-5-6-12-22(18)24)25-16-23(28-29-25)20-14-21(15-20)27-26(32)19-9-3-2-4-10-19/h2-13,16,20-21H,14-15H2,1H3,(H,27,32)(H,28,29)
InChIKeyVNGMMYBQBFNRFQ-UHFFFAOYSA-N
XLogP4.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide
CID 69454161
N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
CID 90987494
N-[3-[4-[acetyl(naphthalen-1-yl)amino]imidazol-1-yl]cyclobutyl]-2-(3-hydroxyphenyl)acetamide
CID 90932596
N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34790921
3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
5-cyclopropyl-N-(1-naphthalen-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 46577659
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(naphthalen-1-yl)amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 70188576

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide?
The IUPAC name of N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide (CID 91491573) is N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide.
What is the SMILES notation for N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide?
The canonical SMILES for N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide is CC(=O)N(c1cc(C2CC(NC(=O)c3ccccc3)C2)[nH]n1)c1cccc2ccccc12.
What is the InChIKey of N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide?
The InChIKey is VNGMMYBQBFNRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17(31)30(24-13-7-11-18-8-5-6-12-22(18)24)25-16-23(28-29-25)20-14-21(15-20)27-26(32)19-9-3-2-4-10-19/h2-13,16,20-21H,14-15H2,1H3,(H,27,32)(H,28,29).
What are the key properties of N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide?
N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide is sourced from PubChem (CID 91491573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).