N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide

C20H30N8O2 — CID 166324317

IUPACN,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide
SMILESCn1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC[C@H]2CCCN2c2cnn(C)c2)cn1
InChIInChI=1S/C20H30N8O2/c1-25-13-17(11-23-25)27-7-3-5-15(27)9-21-19(29)20(30)22-10-16-6-4-8-28(16)18-12-24-26(2)14-18/h11-16H,3-10H2,1-2H3,(H,21,29)(H,22,30)/t15-,16-/m1/s1
InChIKeyDDWGMMUWDYLLMO-HZPDHXFCSA-N
MW414.51 g/mol
LogP0.02
Rot. Bonds6

About N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide

N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide (PubChem CID 166324317) has the molecular formula C20H30N8O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide
PubChem CID166324317
Molecular FormulaC20H30N8O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC NameN,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide
SMILESCn1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC[C@H]2CCCN2c2cnn(C)c2)cn1
InChIInChI=1S/C20H30N8O2/c1-25-13-17(11-23-25)27-7-3-5-15(27)9-21-19(29)20(30)22-10-16-6-4-8-28(16)18-12-24-26(2)14-18/h11-16H,3-10H2,1-2H3,(H,21,29)(H,22,30)/t15-,16-/m1/s1
InChIKeyDDWGMMUWDYLLMO-HZPDHXFCSA-N
XLogP0.02
TPSA100.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126837770
1-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyrazole-4-carboxamide
CID 138030030
(2R,5S)-5-(methylaminomethyl)-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
CID 125451972
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxylic acid
CID 125452417
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 124595842
1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 90619862
2-amino-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]ethanone
CID 162015227
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 154868469
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide (CID 166324317) is N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide is Cn1cc(N2CCC[C@@H]2CNC(=O)C(=O)NC[C@H]2CCCN2c2cnn(C)c2)cn1.
What is the InChIKey of N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide?
The InChIKey is DDWGMMUWDYLLMO-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H30N8O2/c1-25-13-17(11-23-25)27-7-3-5-15(27)9-21-19(29)20(30)22-10-16-6-4-8-28(16)18-12-24-26(2)14-18/h11-16H,3-10H2,1-2H3,(H,21,29)(H,22,30)/t15-,16-/m1/s1.
What are the key properties of N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide?
N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide has a molecular weight of 414.51 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 166324317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).