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

C11H19N3O — CID 123553028

IUPAC4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCC1=CN=CCC1
InChIInChI=1S/C11H19N3O/c12-6-1-4-11(15)14-8-5-10-3-2-7-13-9-10/h7,9H,1-6,8,12H2,(H,14,15)
InChIKeySRAYEXLCEJHXAN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.98
Rot. Bonds6

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

4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide (PubChem CID 123553028) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
PubChem CID123553028
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCC1=CN=CCC1
InChIInChI=1S/C11H19N3O/c12-6-1-4-11(15)14-8-5-10-3-2-7-13-9-10/h7,9H,1-6,8,12H2,(H,14,15)
InChIKeySRAYEXLCEJHXAN-UHFFFAOYSA-N
XLogP0.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.98
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
3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
CID 123749557
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
CID 144920807
N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
CID 146699889
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
4-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 148211035
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 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide (CID 123553028) is 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide is NCCCC(=O)NCCC1=CN=CCC1.
What is the InChIKey of 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide?
The InChIKey is SRAYEXLCEJHXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-6-1-4-11(15)14-8-5-10-3-2-7-13-9-10/h7,9H,1-6,8,12H2,(H,14,15).
What are the key properties of 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide?
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide has a molecular weight of 209.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide is sourced from PubChem (CID 123553028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).