(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide

C13H21N3O2 — CID 126448162

IUPAC(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCCNc1ccncc1C
InChIInChI=1S/C13H21N3O2/c1-4-18-11(3)13(17)16-8-7-15-12-5-6-14-9-10(12)2/h5-6,9,11H,4,7-8H2,1-3H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyPQFPTYMTRCZABU-NSHDSACASA-N
MW251.33 g/mol
LogP1.34
Rot. Bonds7

About (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide

(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide (PubChem CID 126448162) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
PubChem CID126448162
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCCNc1ccncc1C
InChIInChI=1S/C13H21N3O2/c1-4-18-11(3)13(17)16-8-7-15-12-5-6-14-9-10(12)2/h5-6,9,11H,4,7-8H2,1-3H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChIKeyPQFPTYMTRCZABU-NSHDSACASA-N
XLogP1.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
CID 126451165
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 124753177
2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131945076
3-methyl-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 104762427
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 72886848
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 136607679
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide (CID 126448162) is (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide is CCO[C@@H](C)C(=O)NCCNc1ccncc1C.
What is the InChIKey of (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The InChIKey is PQFPTYMTRCZABU-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-11(3)13(17)16-8-7-15-12-5-6-14-9-10(12)2/h5-6,9,11H,4,7-8H2,1-3H3,(H,14,15)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide is sourced from PubChem (CID 126448162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).