3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide

C12H19N3O — CID 81410608

IUPAC3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESCCNCCC(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-3-13-9-6-12(16)15-10(2)11-4-7-14-8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyLNXYTECUFWXEIY-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.26
Rot. Bonds6

About 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide

3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide (PubChem CID 81410608) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
PubChem CID81410608
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESCCNCCC(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-3-13-9-6-12(16)15-10(2)11-4-7-14-8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyLNXYTECUFWXEIY-SNVBAGLBSA-N
XLogP1.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(ethylamino)propanamide
CID 62832500
N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
CID 42959318
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide (CID 81410608) is 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide is CCNCCC(=O)N[C@H](C)c1ccncc1.
What is the InChIKey of 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is LNXYTECUFWXEIY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-13-9-6-12(16)15-10(2)11-4-7-14-8-5-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 81410608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).