(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride

C11H18ClN3O — CID 120872784

IUPAC(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
SMILESCC(c1ccncc1)N(C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8(12)11(15)14(3)9(2)10-4-6-13-7-5-10;/h4-9H,12H2,1-3H3;1H/t8-,9?;/m1./s1
InChIKeyIBZGAXTUJUUVBI-URIXSHMWSA-N
MW243.74 g/mol
LogP1.37
Rot. Bonds3

About (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride

(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride (PubChem CID 120872784) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
PubChem CID120872784
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
SMILESCC(c1ccncc1)N(C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-8(12)11(15)14(3)9(2)10-4-6-13-7-5-10;/h4-9H,12H2,1-3H3;1H/t8-,9?;/m1./s1
InChIKeyIBZGAXTUJUUVBI-URIXSHMWSA-N
XLogP1.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165
2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 65227260
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
(2R)-2-amino-N-methyl-N-(1-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119291307
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride (CID 120872784) is (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride is CC(c1ccncc1)N(C)C(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride?
The InChIKey is IBZGAXTUJUUVBI-URIXSHMWSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-8(12)11(15)14(3)9(2)10-4-6-13-7-5-10;/h4-9H,12H2,1-3H3;1H/t8-,9?;/m1./s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride?
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120872784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).