(3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide

C20H26N4O2S — CID 7318894

IUPAC(3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide
SMILESC[C@@H](CC(=O)NCc1cccs1)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2S/c1-16(13-19(25)22-15-17-5-4-12-27-17)14-20(26)24-10-8-23(9-11-24)18-6-2-3-7-21-18/h2-7,12,16H,8-11,13-15H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyZBLGBQLZJCRHOZ-INIZCTEOSA-N
MW386.52 g/mol
LogP2.52
Rot. Bonds7

About (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide

(3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 7318894) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID7318894
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name(3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide
SMILESC[C@@H](CC(=O)NCc1cccs1)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2S/c1-16(13-19(25)22-15-17-5-4-12-27-17)14-20(26)24-10-8-23(9-11-24)18-6-2-3-7-21-18/h2-7,12,16H,8-11,13-15H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyZBLGBQLZJCRHOZ-INIZCTEOSA-N
XLogP2.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
(2R)-N-(1-cyanocyclopropyl)-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 162644319
Thiophene-2-carboxylic acid [5-(2,2-dimethyl-propionylamino)-4-methyl-pyridin-2-yl]-amide
CID 1449124
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519
5-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106919
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107042
N-(4-methylpyridin-2-yl)thiophene-2-carboxamide
CID 685128
N-methyl-4-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophenecarboxamide
CID 6503958
N-pyridin-2-yl-2-thiophen-2-ylacetamide
CID 836204
7-(4-(2-Pivalamidoethyl)piperidin-1-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 71654989
N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 151422375

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide (CID 7318894) is (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide is C[C@@H](CC(=O)NCc1cccs1)CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is ZBLGBQLZJCRHOZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-16(13-19(25)22-15-17-5-4-12-27-17)14-20(26)24-10-8-23(9-11-24)18-6-2-3-7-21-18/h2-7,12,16H,8-11,13-15H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide?
(3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 386.52 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 7318894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).