N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide

C23H31N5O2 — CID 25484039

IUPACN-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H31N5O2/c1-4-17(2)21(26-22(29)18-8-6-5-7-9-18)23(30)25-19-10-11-20(24-16-19)28-14-12-27(3)13-15-28/h5-11,16-17,21H,4,12-15H2,1-3H3,(H,25,30)(H,26,29)/t17-,21+/m0/s1
InChIKeyOCASNVWFXOHWCZ-LAUBAEHRSA-N
MW409.53 g/mol
LogP2.62
Rot. Bonds7

About N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide

N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide (PubChem CID 25484039) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
PubChem CID25484039
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H31N5O2/c1-4-17(2)21(26-22(29)18-8-6-5-7-9-18)23(30)25-19-10-11-20(24-16-19)28-14-12-27(3)13-15-28/h5-11,16-17,21H,4,12-15H2,1-3H3,(H,25,30)(H,26,29)/t17-,21+/m0/s1
InChIKeyOCASNVWFXOHWCZ-LAUBAEHRSA-N
XLogP2.62
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55786036
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55744182
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
2-(carbamoylamino)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pentanamide
CID 43044640
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
4-chloro-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxopentan-2-yl]benzamide
CID 134016338
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42933399
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 25396956
N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 18186725
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 N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide (CID 25484039) is N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is OCASNVWFXOHWCZ-LAUBAEHRSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-4-17(2)21(26-22(29)18-8-6-5-7-9-18)23(30)25-19-10-11-20(24-16-19)28-14-12-27(3)13-15-28/h5-11,16-17,21H,4,12-15H2,1-3H3,(H,25,30)(H,26,29)/t17-,21+/m0/s1.
What are the key properties of N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide?
N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 25484039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).