3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide

C11H17N3O — CID 81409558

IUPAC3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESCC(CN)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-8(7-12)11(15)14-9(2)10-3-5-13-6-4-10/h3-6,8-9H,7,12H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyQQGNSWWVSQFZBZ-YGPZHTELSA-N
MW207.28 g/mol
LogP0.85
Rot. Bonds4

About 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide

3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide (PubChem CID 81409558) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
PubChem CID81409558
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESCC(CN)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-8(7-12)11(15)14-9(2)10-3-5-13-6-4-10/h3-6,8-9H,7,12H2,1-2H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyQQGNSWWVSQFZBZ-YGPZHTELSA-N
XLogP0.85
TPSA68.01 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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide (CID 81409558) is 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide is CC(CN)C(=O)N[C@H](C)c1ccncc1.
What is the InChIKey of 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is QQGNSWWVSQFZBZ-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(7-12)11(15)14-9(2)10-3-5-13-6-4-10/h3-6,8-9H,7,12H2,1-2H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 207.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 81409558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).