2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide

C12H19N3O2 — CID 68953760

IUPAC2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide
SMILESCCN(CC)C(=O)C(N)C(O)c1ccncc1
InChIInChI=1S/C12H19N3O2/c1-3-15(4-2)12(17)10(13)11(16)9-5-7-14-8-6-9/h5-8,10-11,16H,3-4,13H2,1-2H3
InChIKeyBBHIRNDPVRMQPC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.31
Rot. Bonds5

About 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide

2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide (PubChem CID 68953760) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide
PubChem CID68953760
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide
SMILESCCN(CC)C(=O)C(N)C(O)c1ccncc1
InChIInChI=1S/C12H19N3O2/c1-3-15(4-2)12(17)10(13)11(16)9-5-7-14-8-6-9/h5-8,10-11,16H,3-4,13H2,1-2H3
InChIKeyBBHIRNDPVRMQPC-UHFFFAOYSA-N
XLogP0.31
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81405715
tert-butyl 2-amino-3-hydroxy-3-pyridin-4-ylpropanoate
CID 165488428
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid
CID 135783884
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide
CID 61359027
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide (CID 68953760) is 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide is CCN(CC)C(=O)C(N)C(O)c1ccncc1.
What is the InChIKey of 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide?
The InChIKey is BBHIRNDPVRMQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(4-2)12(17)10(13)11(16)9-5-7-14-8-6-9/h5-8,10-11,16H,3-4,13H2,1-2H3.
What are the key properties of 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide?
2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-3-hydroxy-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 68953760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).