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

C17H28N4O2 — CID 76816641

IUPAC5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide
SMILESCN1CCCC1c1cncc(OCCNC(=O)CCCCN)c1
InChIInChI=1S/C17H28N4O2/c1-21-9-4-5-16(21)14-11-15(13-19-12-14)23-10-8-20-17(22)6-2-3-7-18/h11-13,16H,2-10,18H2,1H3,(H,20,22)
InChIKeyUCYDSMDKNXSMHL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.47
Rot. Bonds9

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

5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide (PubChem CID 76816641) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide
PubChem CID76816641
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide
SMILESCN1CCCC1c1cncc(OCCNC(=O)CCCCN)c1
InChIInChI=1S/C17H28N4O2/c1-21-9-4-5-16(21)14-11-15(13-19-12-14)23-10-8-20-17(22)6-2-3-7-18/h11-13,16H,2-10,18H2,1H3,(H,20,22)
InChIKeyUCYDSMDKNXSMHL-UHFFFAOYSA-N
XLogP1.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.47
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

7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
CID 58537445
3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide
CID 76816664
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
N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine
CID 150406951
[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
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide?
The IUPAC name of 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide (CID 76816641) is 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide.
What is the SMILES notation for 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide?
The canonical SMILES for 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide is CN1CCCC1c1cncc(OCCNC(=O)CCCCN)c1.
What is the InChIKey of 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide?
The InChIKey is UCYDSMDKNXSMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-21-9-4-5-16(21)14-11-15(13-19-12-14)23-10-8-20-17(22)6-2-3-7-18/h11-13,16H,2-10,18H2,1H3,(H,20,22).
What are the key properties of 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide?
5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide has a molecular weight of 320.44 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide is sourced from PubChem (CID 76816641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).