N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide

C11H17N3O2 — CID 82031758

IUPACN-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
SMILESNCCNC(=O)CCCn1ccccc1=O
InChIInChI=1S/C11H17N3O2/c12-6-7-13-10(15)4-3-9-14-8-2-1-5-11(14)16/h1-2,5,8H,3-4,6-7,9,12H2,(H,13,15)
InChIKeyCWKSZTVBUOQVCT-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.30
Rot. Bonds6

About N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide

N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide (PubChem CID 82031758) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
PubChem CID82031758
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
SMILESNCCNC(=O)CCCn1ccccc1=O
InChIInChI=1S/C11H17N3O2/c12-6-7-13-10(15)4-3-9-14-8-2-1-5-11(14)16/h1-2,5,8H,3-4,6-7,9,12H2,(H,13,15)
InChIKeyCWKSZTVBUOQVCT-UHFFFAOYSA-N
XLogP-0.30
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide
CID 86855668
2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 104681861
2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 80539147
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide
CID 82030542
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
N-[3-(2-oxo-1-pyridinyl)propyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 119072889
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
CID 82031748
2-[4-(2-oxo-1-pyridinyl)butyl]-1-prop-2-enylguanidine
CID 136700156
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
CID 90654010
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide?
The IUPAC name of N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide (CID 82031758) is N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide?
The canonical SMILES for N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide is NCCNC(=O)CCCn1ccccc1=O.
What is the InChIKey of N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide?
The InChIKey is CWKSZTVBUOQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-6-7-13-10(15)4-3-9-14-8-2-1-5-11(14)16/h1-2,5,8H,3-4,6-7,9,12H2,(H,13,15).
What are the key properties of N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide?
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide has a molecular weight of 223.28 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide is sourced from PubChem (CID 82031758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).