N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide

C11H17N3O2 — CID 175744077

IUPACN-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@H](CO)c1ccnc(N(C)C)c1
InChIInChI=1S/C11H17N3O2/c1-8(16)13-10(7-15)9-4-5-12-11(6-9)14(2)3/h4-6,10,15H,7H2,1-3H3,(H,13,16)/t10-/m1/s1
InChIKeyBECUYCFLFCDMTH-SNVBAGLBSA-N
MW223.28 g/mol
LogP0.32
Rot. Bonds4

About N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide

N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide (PubChem CID 175744077) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide
PubChem CID175744077
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@H](CO)c1ccnc(N(C)C)c1
InChIInChI=1S/C11H17N3O2/c1-8(16)13-10(7-15)9-4-5-12-11(6-9)14(2)3/h4-6,10,15H,7H2,1-3H3,(H,13,16)/t10-/m1/s1
InChIKeyBECUYCFLFCDMTH-SNVBAGLBSA-N
XLogP0.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide
CID 175744058
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
[2-(dimethylamino)-4-pyridinyl]methanol
CID 22625066
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(dimethylamino)pyridine-4-carboxamide
CID 114152484
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
CID 61155509
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea
CID 168892458

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide?
The IUPAC name of N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide (CID 175744077) is N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide is CC(=O)N[C@H](CO)c1ccnc(N(C)C)c1.
What is the InChIKey of N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide?
The InChIKey is BECUYCFLFCDMTH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(16)13-10(7-15)9-4-5-12-11(6-9)14(2)3/h4-6,10,15H,7H2,1-3H3,(H,13,16)/t10-/m1/s1.
What are the key properties of N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide?
N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide is sourced from PubChem (CID 175744077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).