2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide

C22H28N4O2 — CID 43041619

IUPAC2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1ccc(N2CCCC2)nc1)C(C)C
InChIInChI=1S/C22H28N4O2/c1-15(2)20(25-21(27)18-9-5-4-8-16(18)3)22(28)24-17-10-11-19(23-14-17)26-12-6-7-13-26/h4-5,8-11,14-15,20H,6-7,12-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySVDDYZTYQPYPMD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.38
Rot. Bonds6

About 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide

2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide (PubChem CID 43041619) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
PubChem CID43041619
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1ccc(N2CCCC2)nc1)C(C)C
InChIInChI=1S/C22H28N4O2/c1-15(2)20(25-21(27)18-9-5-4-8-16(18)3)22(28)24-17-10-11-19(23-14-17)26-12-6-7-13-26/h4-5,8-11,14-15,20H,6-7,12-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySVDDYZTYQPYPMD-UHFFFAOYSA-N
XLogP3.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide with MolForge

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Related Compounds

2-chloro-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 46533335
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999
3,5-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 31574700
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 9369295
N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24610805
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]benzamide
CID 2415620
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51149888
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide (CID 43041619) is 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide is Cc1ccccc1C(=O)NC(C(=O)Nc1ccc(N2CCCC2)nc1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
The InChIKey is SVDDYZTYQPYPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15(2)20(25-21(27)18-9-5-4-8-16(18)3)22(28)24-17-10-11-19(23-14-17)26-12-6-7-13-26/h4-5,8-11,14-15,20H,6-7,12-13H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-oxo-1-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 43041619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).