3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide

C8H15N3O — CID 79508339

IUPAC3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide
SMILESNC(=O)CCNC1=NCCCC1
InChIInChI=1S/C8H15N3O/c9-7(12)4-6-11-8-3-1-2-5-10-8/h1-6H2,(H2,9,12)(H,10,11)
InChIKeyDTZOKGNXSDUNOG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.03
Rot. Bonds3

About 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide

3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide (PubChem CID 79508339) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide.

Molecular Properties

Compound Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide
PubChem CID79508339
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide
SMILESNC(=O)CCNC1=NCCCC1
InChIInChI=1S/C8H15N3O/c9-7(12)4-6-11-8-3-1-2-5-10-8/h1-6H2,(H2,9,12)(H,10,11)
InChIKeyDTZOKGNXSDUNOG-UHFFFAOYSA-N
XLogP0.03
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide?
The IUPAC name of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide (CID 79508339) is 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide.
What is the SMILES notation for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide?
The canonical SMILES for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide is NC(=O)CCNC1=NCCCC1.
What is the InChIKey of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide?
The InChIKey is DTZOKGNXSDUNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-7(12)4-6-11-8-3-1-2-5-10-8/h1-6H2,(H2,9,12)(H,10,11).
What are the key properties of 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide?
3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide has a molecular weight of 169.23 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrahydropyridin-6-ylamino)propanamide is sourced from PubChem (CID 79508339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).