3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide

C11H17N3O — CID 60962964

IUPAC3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(c1ccncc1)N(C)C(=O)CCN
InChIInChI=1S/C11H17N3O/c1-9(10-4-7-13-8-5-10)14(2)11(15)3-6-12/h4-5,7-9H,3,6,12H2,1-2H3
InChIKeyYOTNWUKULGFODG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds4

About 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide

3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 60962964) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID60962964
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(c1ccncc1)N(C)C(=O)CCN
InChIInChI=1S/C11H17N3O/c1-9(10-4-7-13-8-5-10)14(2)11(15)3-6-12/h4-5,7-9H,3,6,12H2,1-2H3
InChIKeyYOTNWUKULGFODG-UHFFFAOYSA-N
XLogP0.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 94347343
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 65227260
5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide
CID 119035965
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 60571275
2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950477
6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
CID 65290678
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide (CID 60962964) is 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide is CC(c1ccncc1)N(C)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is YOTNWUKULGFODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(10-4-7-13-8-5-10)14(2)11(15)3-6-12/h4-5,7-9H,3,6,12H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide?
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 207.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 60962964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).