N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide

C26H25N5O2 — CID 68895419

IUPACN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide
SMILESCCC(NC(=O)Cc1cncc(-c2ccccc2)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C26H25N5O2/c1-2-22(26(33)29-24-15-23(30-31-24)20-11-7-4-8-12-20)28-25(32)14-18-13-21(17-27-16-18)19-9-5-3-6-10-19/h3-13,15-17,22H,2,14H2,1H3,(H,28,32)(H2,29,30,31,33)
InChIKeyAHKWPFMBPZZHGT-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.21
Rot. Bonds8

About N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide

N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide (PubChem CID 68895419) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide
PubChem CID68895419
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide
SMILESCCC(NC(=O)Cc1cncc(-c2ccccc2)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C26H25N5O2/c1-2-22(26(33)29-24-15-23(30-31-24)20-11-7-4-8-12-20)28-25(32)14-18-13-21(17-27-16-18)19-9-5-3-6-10-19/h3-13,15-17,22H,2,14H2,1H3,(H,28,32)(H2,29,30,31,33)
InChIKeyAHKWPFMBPZZHGT-UHFFFAOYSA-N
XLogP4.21
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide (CID 68895419) is N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide is CCC(NC(=O)Cc1cncc(-c2ccccc2)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide?
The InChIKey is AHKWPFMBPZZHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-2-22(26(33)29-24-15-23(30-31-24)20-11-7-4-8-12-20)28-25(32)14-18-13-21(17-27-16-18)19-9-5-3-6-10-19/h3-13,15-17,22H,2,14H2,1H3,(H,28,32)(H2,29,30,31,33).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide?
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide has a molecular weight of 439.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide is sourced from PubChem (CID 68895419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).