3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide

C20H27N5O2 — CID 165427598

IUPAC3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)n2C)N1C
InChIInChI=1S/C20H27N5O2/c1-21-18(26)11-15-9-10-16(24(15)2)12-23-20(27)17-13-22-19(25(17)3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,21,26)(H,23,27)/t15-,16+/m1/s1
InChIKeyNJZSVPSLDWYPQI-CVEARBPZSA-N
MW369.47 g/mol
LogP1.42
Rot. Bonds6

About 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide

3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide (PubChem CID 165427598) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
PubChem CID165427598
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)n2C)N1C
InChIInChI=1S/C20H27N5O2/c1-21-18(26)11-15-9-10-16(24(15)2)12-23-20(27)17-13-22-19(25(17)3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,21,26)(H,23,27)/t15-,16+/m1/s1
InChIKeyNJZSVPSLDWYPQI-CVEARBPZSA-N
XLogP1.42
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 165422149
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
CID 165422911
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 166618970
1-tert-butyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]pyrrole-3-carboxamide
CID 166617246
6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 166617843
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
CID 165420133
N-[[(1S,2R,3S,4S)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 163341349
5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide
CID 171631253
2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171389370
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 166613163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide (CID 165427598) is 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)n2C)N1C.
What is the InChIKey of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide?
The InChIKey is NJZSVPSLDWYPQI-CVEARBPZSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-21-18(26)11-15-9-10-16(24(15)2)12-23-20(27)17-13-22-19(25(17)3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,21,26)(H,23,27)/t15-,16+/m1/s1.
What are the key properties of 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide?
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide is sourced from PubChem (CID 165427598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).