3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide

C12H19N3O — CID 63672051

IUPAC3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
SMILESCCNCC(C)C(=O)Nc1ccncc1C
InChIInChI=1S/C12H19N3O/c1-4-13-8-10(3)12(16)15-11-5-6-14-7-9(11)2/h5-7,10,13H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyPYSWMPWMHAZRLF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds5

About 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide

3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide (PubChem CID 63672051) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
PubChem CID63672051
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
SMILESCCNCC(C)C(=O)Nc1ccncc1C
InChIInChI=1S/C12H19N3O/c1-4-13-8-10(3)12(16)15-11-5-6-14-7-9(11)2/h5-7,10,13H,4,8H2,1-3H3,(H,14,15,16)
InChIKeyPYSWMPWMHAZRLF-UHFFFAOYSA-N
XLogP1.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide (CID 63672051) is 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide is CCNCC(C)C(=O)Nc1ccncc1C.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide?
The InChIKey is PYSWMPWMHAZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-13-8-10(3)12(16)15-11-5-6-14-7-9(11)2/h5-7,10,13H,4,8H2,1-3H3,(H,14,15,16).
What are the key properties of 3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide?
3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.57, 5 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-(3-methyl-4-pyridinyl)propanamide is sourced from PubChem (CID 63672051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).