N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide

C16H24N4O2 — CID 165422911

IUPACN-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)Cc2cccnc2)N1C
InChIInChI=1S/C16H24N4O2/c1-17-15(21)9-13-5-6-14(20(13)2)11-19-16(22)8-12-4-3-7-18-10-12/h3-4,7,10,13-14H,5-6,8-9,11H2,1-2H3,(H,17,21)(H,19,22)/t13-,14+/m1/s1
InChIKeyUPTPNGSOLOSCTI-KGLIPLIRSA-N
MW304.39 g/mol
LogP0.34
Rot. Bonds6

About N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide

N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide (PubChem CID 165422911) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
PubChem CID165422911
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)Cc2cccnc2)N1C
InChIInChI=1S/C16H24N4O2/c1-17-15(21)9-13-5-6-14(20(13)2)11-19-16(22)8-12-4-3-7-18-10-12/h3-4,7,10,13-14H,5-6,8-9,11H2,1-2H3,(H,17,21)(H,19,22)/t13-,14+/m1/s1
InChIKeyUPTPNGSOLOSCTI-KGLIPLIRSA-N
XLogP0.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide with MolForge

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Related Compounds

4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
CID 165427598
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 165422149
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 166618970
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 154793435
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
4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167992062
5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
CID 165420133
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
N-methyl-2-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677523
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide (CID 165422911) is N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)Cc2cccnc2)N1C.
What is the InChIKey of N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide?
The InChIKey is UPTPNGSOLOSCTI-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-17-15(21)9-13-5-6-14(20(13)2)11-19-16(22)8-12-4-3-7-18-10-12/h3-4,7,10,13-14H,5-6,8-9,11H2,1-2H3,(H,17,21)(H,19,22)/t13-,14+/m1/s1.
What are the key properties of N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide?
N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 165422911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).