2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide

C12H19N3O — CID 106935267

IUPAC2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
SMILESCCN(C(=O)C(C)(N)CC)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-4-12(3,13)11(16)15(5-2)10-6-8-14-9-7-10/h6-9H,4-5,13H2,1-3H3
InChIKeyPWOFOZMRHVETKS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds4

About 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide

2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide (PubChem CID 106935267) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
PubChem CID106935267
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
SMILESCCN(C(=O)C(C)(N)CC)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-4-12(3,13)11(16)15(5-2)10-6-8-14-9-7-10/h6-9H,4-5,13H2,1-3H3
InChIKeyPWOFOZMRHVETKS-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
CID 106934812
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
5-amino-N-ethyl-4-methyl-N-pyridin-4-ylpentanamide
CID 106935520
N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 113238508

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide?
The IUPAC name of 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide (CID 106935267) is 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide is CCN(C(=O)C(C)(N)CC)c1ccncc1.
What is the InChIKey of 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide?
The InChIKey is PWOFOZMRHVETKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-12(3,13)11(16)15(5-2)10-6-8-14-9-7-10/h6-9H,4-5,13H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide?
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 106935267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).