2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

C11H17N3O — CID 81404462

IUPAC2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESCNC(C)C(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C11H17N3O/c1-8(10-5-4-6-13-7-10)14-11(15)9(2)12-3/h4-9,12H,1-3H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyDMZMHTIQLURTAT-IENPIDJESA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds4

About 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (PubChem CID 81404462) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
PubChem CID81404462
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESCNC(C)C(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C11H17N3O/c1-8(10-5-4-6-13-7-10)14-11(15)9(2)12-3/h4-9,12H,1-3H3,(H,14,15)/t8-,9?/m0/s1
InChIKeyDMZMHTIQLURTAT-IENPIDJESA-N
XLogP0.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404015
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404603
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (CID 81404462) is 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is CNC(C)C(=O)N[C@@H](C)c1cccnc1.
What is the InChIKey of 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is DMZMHTIQLURTAT-IENPIDJESA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(10-5-4-6-13-7-10)14-11(15)9(2)12-3/h4-9,12H,1-3H3,(H,14,15)/t8-,9?/m0/s1.
What are the key properties of 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 207.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 81404462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).