2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide

C20H24Cl2N4O2 — CID 46699574

IUPAC2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C20H24Cl2N4O2/c1-12(2)9-17(25-19(27)15-7-5-13(21)10-16(15)22)20(28)24-14-6-8-18(23-11-14)26(3)4/h5-8,10-12,17H,9H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyZPZCAGWPRBVWKG-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.24
Rot. Bonds7

About 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 46699574) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID46699574
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C20H24Cl2N4O2/c1-12(2)9-17(25-19(27)15-7-5-13(21)10-16(15)22)20(28)24-14-6-8-18(23-11-14)26(3)4/h5-8,10-12,17H,9H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyZPZCAGWPRBVWKG-UHFFFAOYSA-N
XLogP4.24
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43001585
2,4-dichloro-N-[(2S)-4-methyl-1-oxo-1-[4-(tetrazol-1-yl)anilino]pentan-2-yl]benzamide
CID 51873691
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[1-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55328495
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)amino]butan-2-yl]benzamide
CID 55496862

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide (CID 46699574) is 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is ZPZCAGWPRBVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2/c1-12(2)9-17(25-19(27)15-7-5-13(21)10-16(15)22)20(28)24-14-6-8-18(23-11-14)26(3)4/h5-8,10-12,17H,9H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 423.34 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 46699574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).