3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide

C13H21N3O — CID 81404636

IUPAC3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESCCNCC(C)C(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-14-8-10(2)13(17)16-11(3)12-6-5-7-15-9-12/h5-7,9-11,14H,4,8H2,1-3H3,(H,16,17)/t10?,11-/m0/s1
InChIKeyZRGAJZKYCNQPSV-DTIOYNMSSA-N
MW235.33 g/mol
LogP1.50
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide

3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide (PubChem CID 81404636) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
PubChem CID81404636
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESCCNCC(C)C(=O)N[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-4-14-8-10(2)13(17)16-11(3)12-6-5-7-15-9-12/h5-7,9-11,14H,4,8H2,1-3H3,(H,16,17)/t10?,11-/m0/s1
InChIKeyZRGAJZKYCNQPSV-DTIOYNMSSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide (CID 81404636) is 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide is CCNCC(C)C(=O)N[C@@H](C)c1cccnc1.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is ZRGAJZKYCNQPSV-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-14-8-10(2)13(17)16-11(3)12-6-5-7-15-9-12/h5-7,9-11,14H,4,8H2,1-3H3,(H,16,17)/t10?,11-/m0/s1.
What are the key properties of 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 81404636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).