2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide

C22H27N5O — CID 59333088

IUPAC2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(C)(CCN1CCCC1)C(=O)Nc1cc(-c2cnc3ccccc3c2)[nH]n1
InChIInChI=1S/C22H27N5O/c1-22(2,9-12-27-10-5-6-11-27)21(28)24-20-14-19(25-26-20)17-13-16-7-3-4-8-18(16)23-15-17/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H2,24,25,26,28)
InChIKeyFANGUQOLBWODHW-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.08
Rot. Bonds6

About 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide

2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 59333088) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide
PubChem CID59333088
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(C)(CCN1CCCC1)C(=O)Nc1cc(-c2cnc3ccccc3c2)[nH]n1
InChIInChI=1S/C22H27N5O/c1-22(2,9-12-27-10-5-6-11-27)21(28)24-20-14-19(25-26-20)17-13-16-7-3-4-8-18(16)23-15-17/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H2,24,25,26,28)
InChIKeyFANGUQOLBWODHW-UHFFFAOYSA-N
XLogP4.08
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide (CID 59333088) is 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide is CC(C)(CCN1CCCC1)C(=O)Nc1cc(-c2cnc3ccccc3c2)[nH]n1.
What is the InChIKey of 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide?
The InChIKey is FANGUQOLBWODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-22(2,9-12-27-10-5-6-11-27)21(28)24-20-14-19(25-26-20)17-13-16-7-3-4-8-18(16)23-15-17/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H2,24,25,26,28).
What are the key properties of 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide?
2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide has a molecular weight of 377.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 59333088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).