N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide

C16H26N4O3 — CID 94758231

IUPACN-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide
SMILESNCCNC(=O)CCn1cccc(OCCN2CCCC2)c1=O
InChIInChI=1S/C16H26N4O3/c17-6-7-18-15(21)5-11-20-10-3-4-14(16(20)22)23-13-12-19-8-1-2-9-19/h3-4,10H,1-2,5-9,11-13,17H2,(H,18,21)
InChIKeyYBKUGYHJTKRKRI-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.21
Rot. Bonds9

About N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide

N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide (PubChem CID 94758231) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide
PubChem CID94758231
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide
SMILESNCCNC(=O)CCn1cccc(OCCN2CCCC2)c1=O
InChIInChI=1S/C16H26N4O3/c17-6-7-18-15(21)5-11-20-10-3-4-14(16(20)22)23-13-12-19-8-1-2-9-19/h3-4,10H,1-2,5-9,11-13,17H2,(H,18,21)
InChIKeyYBKUGYHJTKRKRI-UHFFFAOYSA-N
XLogP-0.21
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanethioamide
CID 82151752
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073
5-[3-(2-morpholin-4-ylethoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151552
1-(2-hydroxyethyl)-3-(2-morpholin-4-ylethoxy)pyridin-2-one
CID 82150749
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
2-methyl-2-[2-oxo-3-(2-piperidin-1-ylethoxy)-1-pyridinyl]propanoic acid
CID 94745942
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide?
The IUPAC name of N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide (CID 94758231) is N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide is NCCNC(=O)CCn1cccc(OCCN2CCCC2)c1=O.
What is the InChIKey of N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide?
The InChIKey is YBKUGYHJTKRKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c17-6-7-18-15(21)5-11-20-10-3-4-14(16(20)22)23-13-12-19-8-1-2-9-19/h3-4,10H,1-2,5-9,11-13,17H2,(H,18,21).
What are the key properties of N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide?
N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of -0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[2-oxo-3-(2-pyrrolidin-1-ylethoxy)-1-pyridinyl]propanamide is sourced from PubChem (CID 94758231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).