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

C14H23N3O — CID 113009034

IUPAC2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
SMILESCCCNc1ccc(NC(=O)C(CC)CC)cn1
InChIInChI=1S/C14H23N3O/c1-4-9-15-13-8-7-12(10-16-13)17-14(18)11(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJGWJLPRSKNEEQA-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.28
Rot. Bonds7

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

2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide (PubChem CID 113009034) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
PubChem CID113009034
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
SMILESCCCNc1ccc(NC(=O)C(CC)CC)cn1
InChIInChI=1S/C14H23N3O/c1-4-9-15-13-8-7-12(10-16-13)17-14(18)11(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJGWJLPRSKNEEQA-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013197
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012657
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide (CID 113009034) is 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide is CCCNc1ccc(NC(=O)C(CC)CC)cn1.
What is the InChIKey of 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide?
The InChIKey is JGWJLPRSKNEEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-9-15-13-8-7-12(10-16-13)17-14(18)11(5-2)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide?
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide has a molecular weight of 249.36 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113009034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).