N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

C17H22N6O2 — CID 124985573

IUPACN-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C17H22N6O2/c1-11-18-7-13(8-19-12(2)24)16(21-11)15-5-4-6-23(15)17(25)14-9-20-22(3)10-14/h7,9-10,15H,4-6,8H2,1-3H3,(H,19,24)/t15-/m0/s1
InChIKeyNSRGMLPPKLAGNV-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.13
Rot. Bonds4

About N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide

N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 124985573) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID124985573
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C17H22N6O2/c1-11-18-7-13(8-19-12(2)24)16(21-11)15-5-4-6-23(15)17(25)14-9-20-22(3)10-14/h7,9-10,15H,4-6,8H2,1-3H3,(H,19,24)/t15-/m0/s1
InChIKeyNSRGMLPPKLAGNV-HNNXBMFYSA-N
XLogP1.13
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 110095709
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
CID 124956996
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125019389
N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110116834
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124947769
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117382
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110119109
1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 175662611

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 124985573) is N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C(=O)c1cnn(C)c1.
What is the InChIKey of N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is NSRGMLPPKLAGNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-18-7-13(8-19-12(2)24)16(21-11)15-5-4-6-23(15)17(25)14-9-20-22(3)10-14/h7,9-10,15H,4-6,8H2,1-3H3,(H,19,24)/t15-/m0/s1.
What are the key properties of N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide?
N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 124985573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).