3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide

C12H19N3O — CID 22692037

IUPAC3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCCN(CCc1ccncc1)C(=O)CCN
InChIInChI=1S/C12H19N3O/c1-2-15(12(16)3-7-13)10-6-11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10,13H2,1H3
InChIKeyWHKIICICRXVARL-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.82
Rot. Bonds6

About 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide

3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 22692037) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID22692037
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCCN(CCc1ccncc1)C(=O)CCN
InChIInChI=1S/C12H19N3O/c1-2-15(12(16)3-7-13)10-6-11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10,13H2,1H3
InChIKeyWHKIICICRXVARL-UHFFFAOYSA-N
XLogP0.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-ethyl-3-imidazo[1,5-a]pyridin-3-yl-N-(2-pyridin-4-ylethyl)propanamide
CID 110675045
N-ethyl-3-(2-methyl-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 110683519
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
N-ethyl-2-indol-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 110702427
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663
6-amino-N-ethyl-4,4-dimethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 65292091
N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
N-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687138

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide (CID 22692037) is 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide is CCN(CCc1ccncc1)C(=O)CCN.
What is the InChIKey of 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is WHKIICICRXVARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15(12(16)3-7-13)10-6-11-4-8-14-9-5-11/h4-5,8-9H,2-3,6-7,10,13H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide?
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 22692037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).