4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide

C25H26N6O — CID 171347545

IUPAC4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncccc5c4)[nH]n3)cc2)CC1
InChIInChI=1S/C25H26N6O/c1-31-13-10-21(11-14-31)27-20-7-4-17(5-8-20)25(32)28-24-16-23(29-30-24)19-6-9-22-18(15-19)3-2-12-26-22/h2-9,12,15-16,21,27H,10-11,13-14H2,1H3,(H2,28,29,30,32)
InChIKeyOZODPJCWYSRYOP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.38
Rot. Bonds5

About 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide

4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 171347545) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide
PubChem CID171347545
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncccc5c4)[nH]n3)cc2)CC1
InChIInChI=1S/C25H26N6O/c1-31-13-10-21(11-14-31)27-20-7-4-17(5-8-20)25(32)28-24-16-23(29-30-24)19-6-9-22-18(15-19)3-2-12-26-22/h2-9,12,15-16,21,27H,10-11,13-14H2,1H3,(H2,28,29,30,32)
InChIKeyOZODPJCWYSRYOP-UHFFFAOYSA-N
XLogP4.38
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide (CID 171347545) is 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide is CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncccc5c4)[nH]n3)cc2)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is OZODPJCWYSRYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-31-13-10-21(11-14-31)27-20-7-4-17(5-8-20)25(32)28-24-16-23(29-30-24)19-6-9-22-18(15-19)3-2-12-26-22/h2-9,12,15-16,21,27H,10-11,13-14H2,1H3,(H2,28,29,30,32).
What are the key properties of 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide?
4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)amino]-N-(5-quinolin-6-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 171347545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).