3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide

C10H17N3O — CID 123749557

IUPAC3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
SMILESNCCC(=O)NCCC1=CN=CCC1
InChIInChI=1S/C10H17N3O/c11-5-3-10(14)13-7-4-9-2-1-6-12-8-9/h6,8H,1-5,7,11H2,(H,13,14)
InChIKeyUMNVGLNBFLPTKM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.59
Rot. Bonds5

About 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide

3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide (PubChem CID 123749557) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
PubChem CID123749557
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
SMILESNCCC(=O)NCCC1=CN=CCC1
InChIInChI=1S/C10H17N3O/c11-5-3-10(14)13-7-4-9-2-1-6-12-8-9/h6,8H,1-5,7,11H2,(H,13,14)
InChIKeyUMNVGLNBFLPTKM-UHFFFAOYSA-N
XLogP0.59
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
CID 90940234
N-[2-[(7E)-3,4,5,6-tetrahydroazocin-7-yl]ethyl]acetamide
CID 91522023
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
3-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 147315077
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
CID 149138375
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide (CID 123749557) is 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide is NCCC(=O)NCCC1=CN=CCC1.
What is the InChIKey of 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide?
The InChIKey is UMNVGLNBFLPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-5-3-10(14)13-7-4-9-2-1-6-12-8-9/h6,8H,1-5,7,11H2,(H,13,14).
What are the key properties of 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide?
3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide is sourced from PubChem (CID 123749557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).