N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide

C20H27N5O2S — CID 92760411

IUPACN-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(c2ncccc2C(=O)NCc2cccs2)CC1
InChIInChI=1S/C20H27N5O2S/c1-3-15(2)23-20(27)25-11-9-24(10-12-25)18-17(7-4-8-21-18)19(26)22-14-16-6-5-13-28-16/h4-8,13,15H,3,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/t15-/m1/s1
InChIKeyZASCDZITMDZDEP-OAHLLOKOSA-N
MW401.54 g/mol
LogP2.70
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide

N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 92760411) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID92760411
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(c2ncccc2C(=O)NCc2cccs2)CC1
InChIInChI=1S/C20H27N5O2S/c1-3-15(2)23-20(27)25-11-9-24(10-12-25)18-17(7-4-8-21-18)19(26)22-14-16-6-5-13-28-16/h4-8,13,15H,3,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/t15-/m1/s1
InChIKeyZASCDZITMDZDEP-OAHLLOKOSA-N
XLogP2.70
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide with MolForge

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Related Compounds

2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42691375
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 46084493
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27104700
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71870648
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide (CID 92760411) is N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide is CC[C@@H](C)NC(=O)N1CCN(c2ncccc2C(=O)NCc2cccs2)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is ZASCDZITMDZDEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-3-15(2)23-20(27)25-11-9-24(10-12-25)18-17(7-4-8-21-18)19(26)22-14-16-6-5-13-28-16/h4-8,13,15H,3,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide?
N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 92760411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).