N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide

C10H14BrN3O2 — CID 82031748

IUPACN-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
SMILESNCCNC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C10H14BrN3O2/c11-8-1-2-10(16)14(7-8)6-3-9(15)13-5-4-12/h1-2,7H,3-6,12H2,(H,13,15)
InChIKeyRSFUYPGSOXILRN-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.08
Rot. Bonds5

About N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide

N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide (PubChem CID 82031748) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
PubChem CID82031748
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC NameN-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
SMILESNCCNC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C10H14BrN3O2/c11-8-1-2-10(16)14(7-8)6-3-9(15)13-5-4-12/h1-2,7H,3-6,12H2,(H,13,15)
InChIKeyRSFUYPGSOXILRN-UHFFFAOYSA-N
XLogP0.08
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide
CID 82151145
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(methylamino)ethyl]acetamide
CID 119503564
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenylethyl)propanamide
CID 120886620
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
3-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-(4-bromophenyl)propanamide
CID 55951719
3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 86903266
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
N-(2-aminoethyl)-5-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]pentanamide
CID 39151053
5-bromo-1-[3-oxo-3-(4-prop-2-ynylpiperazin-1-yl)propyl]pyridin-2-one
CID 86862044
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
CID 78815021

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide (CID 82031748) is N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide is NCCNC(=O)CCn1cc(Br)ccc1=O.
What is the InChIKey of N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
The InChIKey is RSFUYPGSOXILRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-1-2-10(16)14(7-8)6-3-9(15)13-5-4-12/h1-2,7H,3-6,12H2,(H,13,15).
What are the key properties of N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide has a molecular weight of 288.14 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82031748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).