1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

C20H31N5O2 — CID 55634906

IUPAC1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCCN3C(=O)C(C)(C)C)cn2)CC1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)19(27)25-9-5-6-16(25)18(26)22-15-7-8-17(21-14-15)24-12-10-23(4)11-13-24/h7-8,14,16H,5-6,9-13H2,1-4H3,(H,22,26)
InChIKeyAGOQJPPBWKPVKB-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.81
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 55634906) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID55634906
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCCN3C(=O)C(C)(C)C)cn2)CC1
InChIInChI=1S/C20H31N5O2/c1-20(2,3)19(27)25-9-5-6-16(25)18(26)22-15-7-8-17(21-14-15)24-12-10-23(4)11-13-24/h7-8,14,16H,5-6,9-13H2,1-4H3,(H,22,26)
InChIKeyAGOQJPPBWKPVKB-UHFFFAOYSA-N
XLogP1.81
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 24646697
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 47184320
1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
(2R)-1-(adamantane-1-carbonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51929068
1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide
CID 100972177
N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 100972174
1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 16613341
5-hydroxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 126777323
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24610805

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (CID 55634906) is 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is CN1CCN(c2ccc(NC(=O)C3CCCN3C(=O)C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is AGOQJPPBWKPVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-20(2,3)19(27)25-9-5-6-16(25)18(26)22-15-7-8-17(21-14-15)24-12-10-23(4)11-13-24/h7-8,14,16H,5-6,9-13H2,1-4H3,(H,22,26).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55634906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).