(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide

C10H17N3O — CID 103872075

IUPAC(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESCNC(=O)[C@@H](C)NCc1ccn(C)c1
InChIInChI=1S/C10H17N3O/c1-8(10(14)11-2)12-6-9-4-5-13(3)7-9/h4-5,7-8,12H,6H2,1-3H3,(H,11,14)/t8-/m1/s1
InChIKeyJSKNEXDLWQLMLC-MRVPVSSYSA-N
MW195.27 g/mol
LogP0.25
Rot. Bonds4

About (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide

(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide (PubChem CID 103872075) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
PubChem CID103872075
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESCNC(=O)[C@@H](C)NCc1ccn(C)c1
InChIInChI=1S/C10H17N3O/c1-8(10(14)11-2)12-6-9-4-5-13(3)7-9/h4-5,7-8,12H,6H2,1-3H3,(H,11,14)/t8-/m1/s1
InChIKeyJSKNEXDLWQLMLC-MRVPVSSYSA-N
XLogP0.25
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
CID 115868089
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
methyl (2S)-3-methyl-2-[(1-methylpyrrol-3-yl)methylamino]butanoate
CID 66399382
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
(2R)-2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
CID 93355745
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The IUPAC name of (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide (CID 103872075) is (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide.
What is the SMILES notation for (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The canonical SMILES for (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide is CNC(=O)[C@@H](C)NCc1ccn(C)c1.
What is the InChIKey of (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The InChIKey is JSKNEXDLWQLMLC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(10(14)11-2)12-6-9-4-5-13(3)7-9/h4-5,7-8,12H,6H2,1-3H3,(H,11,14)/t8-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide is sourced from PubChem (CID 103872075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).