3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide

C15H24N4O2 — CID 76816664

IUPAC3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide
SMILESCN1CCCC1c1cncc(OCCNC(=O)CCN)c1
InChIInChI=1S/C15H24N4O2/c1-19-7-2-3-14(19)12-9-13(11-17-10-12)21-8-6-18-15(20)4-5-16/h9-11,14H,2-8,16H2,1H3,(H,18,20)
InChIKeyAJJAERJQOXBDLT-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.69
Rot. Bonds7

About 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide

3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide (PubChem CID 76816664) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide
PubChem CID76816664
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide
SMILESCN1CCCC1c1cncc(OCCNC(=O)CCN)c1
InChIInChI=1S/C15H24N4O2/c1-19-7-2-3-14(19)12-9-13(11-17-10-12)21-8-6-18-15(20)4-5-16/h9-11,14H,2-8,16H2,1H3,(H,18,20)
InChIKeyAJJAERJQOXBDLT-UHFFFAOYSA-N
XLogP0.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide
CID 76816641
7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
CID 58537445
2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide
CID 58537411
2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid
CID 141313321
tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate
CID 123619076
[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl] hydrogen sulfate
CID 139595012
2-[2-[2-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid
CID 89482414
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine
CID 150406951
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 119926119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide (CID 76816664) is 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide is CN1CCCC1c1cncc(OCCNC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide?
The InChIKey is AJJAERJQOXBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19-7-2-3-14(19)12-9-13(11-17-10-12)21-8-6-18-15(20)4-5-16/h9-11,14H,2-8,16H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide?
3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide is sourced from PubChem (CID 76816664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).