N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C24H27N5O2S — CID 42933399

IUPACN-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C(Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C24H27N5O2S/c1-28-11-13-29(14-12-28)22-10-9-19(17-25-22)26-23(30)20(16-18-6-3-2-4-7-18)27-24(31)21-8-5-15-32-21/h2-10,15,17,20H,11-14,16H2,1H3,(H,26,30)(H,27,31)
InChIKeyRERDVJRKXAZUDZ-UHFFFAOYSA-N
MW449.58 g/mol
LogP2.87
Rot. Bonds7

About N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 42933399) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID42933399
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C(Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C24H27N5O2S/c1-28-11-13-29(14-12-28)22-10-9-19(17-25-22)26-23(30)20(16-18-6-3-2-4-7-18)27-24(31)21-8-5-15-32-21/h2-10,15,17,20H,11-14,16H2,1H3,(H,26,30)(H,27,31)
InChIKeyRERDVJRKXAZUDZ-UHFFFAOYSA-N
XLogP2.87
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 24546080
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 42857505
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55970055
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CID 55334887
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CID 25484039
N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42917748
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CID 2428943
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 42933399) is N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CN1CCN(c2ccc(NC(=O)C(Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1.
What is the InChIKey of N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is RERDVJRKXAZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-28-11-13-29(14-12-28)22-10-9-19(17-25-22)26-23(30)20(16-18-6-3-2-4-7-18)27-24(31)21-8-5-15-32-21/h2-10,15,17,20H,11-14,16H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42933399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).