N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide

C20H21N5OS — CID 133267878

IUPACN-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)c1cnc(-c2cccs2)nc1
InChIInChI=1S/C20H21N5OS/c1-25(13-16-10-17(24-23-16)14-6-3-2-4-7-14)20(26)15-11-21-19(22-12-15)18-8-5-9-27-18/h2-9,11-12,16-17,23-24H,10,13H2,1H3
InChIKeyHOXUMPIWPIKUOD-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide

N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 133267878) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID133267878
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESCN(CC1CC(c2ccccc2)NN1)C(=O)c1cnc(-c2cccs2)nc1
InChIInChI=1S/C20H21N5OS/c1-25(13-16-10-17(24-23-16)14-6-3-2-4-7-14)20(26)15-11-21-19(22-12-15)18-8-5-9-27-18/h2-9,11-12,16-17,23-24H,10,13H2,1H3
InChIKeyHOXUMPIWPIKUOD-UHFFFAOYSA-N
XLogP2.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 134081034
2-(2-ethylimidazol-1-yl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133265861
1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide
CID 74812515
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 78086382
2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133129551
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 72852863
5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 133266106
N,N-bis(1,3-oxazol-4-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 119069644
(2,3,4,5,6-pentafluorophenyl) 2-thiophen-2-ylpyrimidine-5-carboxylate
CID 165350801
(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 95894538
N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62757497
2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide
CID 75259165

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide (CID 133267878) is N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide is CN(CC1CC(c2ccccc2)NN1)C(=O)c1cnc(-c2cccs2)nc1.
What is the InChIKey of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is HOXUMPIWPIKUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-25(13-16-10-17(24-23-16)14-6-3-2-4-7-14)20(26)15-11-21-19(22-12-15)18-8-5-9-27-18/h2-9,11-12,16-17,23-24H,10,13H2,1H3.
What are the key properties of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide?
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 133267878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).