N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

C20H26N4O2S — CID 56705354

IUPACN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)c2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C20H26N4O2S/c1-23-9-11-24(12-10-23)19-15(4-2-8-21-19)14-22-20(25)18-7-6-17(27-18)16-5-3-13-26-16/h2,4,6-8,16H,3,5,9-14H2,1H3,(H,22,25)
InChIKeyPVKOQQNZWIOUPT-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.68
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 56705354) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID56705354
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCN1CCN(c2ncccc2CNC(=O)c2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C20H26N4O2S/c1-23-9-11-24(12-10-23)19-15(4-2-8-21-19)14-22-20(25)18-7-6-17(27-18)16-5-3-13-26-16/h2,4,6-8,16H,3,5,9-14H2,1H3,(H,22,25)
InChIKeyPVKOQQNZWIOUPT-UHFFFAOYSA-N
XLogP2.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97141233
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94059341
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119902780

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 56705354) is N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is CN1CCN(c2ncccc2CNC(=O)c2ccc(C3CCCO3)s2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is PVKOQQNZWIOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-23-9-11-24(12-10-23)19-15(4-2-8-21-19)14-22-20(25)18-7-6-17(27-18)16-5-3-13-26-16/h2,4,6-8,16H,3,5,9-14H2,1H3,(H,22,25).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 56705354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).