3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

C24H27N5O2 — CID 35780569

IUPAC3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1
InChIInChI=1S/C24H27N5O2/c1-24(2,3)23(31)25-17-10-8-9-16(15-17)22(30)28-20-21(29-13-6-7-14-29)27-19-12-5-4-11-18(19)26-20/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,25,31)(H,26,28,30)
InChIKeyIPOVHMSROZCUEB-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.47
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (PubChem CID 35780569) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
PubChem CID35780569
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1
InChIInChI=1S/C24H27N5O2/c1-24(2,3)23(31)25-17-10-8-9-16(15-17)22(30)28-20-21(29-13-6-7-14-29)27-19-12-5-4-11-18(19)26-20/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,25,31)(H,26,28,30)
InChIKeyIPOVHMSROZCUEB-UHFFFAOYSA-N
XLogP4.47
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38118120
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 30476399
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851
3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55758386
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55497201
3-(2,2-dimethylpropanoylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 35371656
2,2-dimethyl-N-[3-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 30544816
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (CID 35780569) is 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The InChIKey is IPOVHMSROZCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-24(2,3)23(31)25-17-10-8-9-16(15-17)22(30)28-20-21(29-13-6-7-14-29)27-19-12-5-4-11-18(19)26-20/h4-5,8-12,15H,6-7,13-14H2,1-3H3,(H,25,31)(H,26,28,30).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 35780569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).