2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide

C17H22N4O — CID 113012657

IUPAC2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C17H22N4O/c1-3-13(4-2)17(22)21-15-8-9-16(20-12-15)19-11-14-7-5-6-10-18-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVREDVDJXFZHFLB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.46
Rot. Bonds7

About 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide

2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide (PubChem CID 113012657) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
PubChem CID113012657
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccccn2)nc1
InChIInChI=1S/C17H22N4O/c1-3-13(4-2)17(22)21-15-8-9-16(20-12-15)19-11-14-7-5-6-10-18-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVREDVDJXFZHFLB-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012649
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013197
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide (CID 113012657) is 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide is CCC(CC)C(=O)Nc1ccc(NCc2ccccn2)nc1.
What is the InChIKey of 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide?
The InChIKey is VREDVDJXFZHFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-13(4-2)17(22)21-15-8-9-16(20-12-15)19-11-14-7-5-6-10-18-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide?
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide has a molecular weight of 298.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113012657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).