N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C16H20N6O2 — CID 110117016

IUPACN-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCN(C(=O)c3ccnc(C)n3)C2)[nH]1
InChIInChI=1S/C16H20N6O2/c1-10-17-5-3-14(20-10)16(24)22-6-4-12(9-22)15-19-8-13(21-15)7-18-11(2)23/h3,5,8,12H,4,6-7,9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyFNEFTMATFQJKSL-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.77
Rot. Bonds4

About N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 110117016) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID110117016
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCN(C(=O)c3ccnc(C)n3)C2)[nH]1
InChIInChI=1S/C16H20N6O2/c1-10-17-5-3-14(20-10)16(24)22-6-4-12(9-22)15-19-8-13(21-15)7-18-11(2)23/h3,5,8,12H,4,6-7,9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyFNEFTMATFQJKSL-UHFFFAOYSA-N
XLogP0.77
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117033
N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125023356
N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117032
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125021716
N-[[2-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124977533
N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125013153
N-[[2-[(3R)-1-(diethylsulfamoyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125005074
[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117008
N-[[2-[4-(5-ethyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117119
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 110117016) is N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc(C2CCN(C(=O)c3ccnc(C)n3)C2)[nH]1.
What is the InChIKey of N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is FNEFTMATFQJKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10-17-5-3-14(20-10)16(24)22-6-4-12(9-22)15-19-8-13(21-15)7-18-11(2)23/h3,5,8,12H,4,6-7,9H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 328.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 110117016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).