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

C19H32N4O2 — CID 58537445

IUPAC7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
SMILESCN1CCC[C@H]1c1cncc(OCCNC(=O)CCCCCCN)c1
InChIInChI=1S/C19H32N4O2/c1-23-11-6-7-18(23)16-13-17(15-21-14-16)25-12-10-22-19(24)8-4-2-3-5-9-20/h13-15,18H,2-12,20H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyLFPVZNINDSQDOI-SFHVURJKSA-N
MW348.49 g/mol
LogP2.25
Rot. Bonds11

About 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide

7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide (PubChem CID 58537445) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
PubChem CID58537445
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
SMILESCN1CCC[C@H]1c1cncc(OCCNC(=O)CCCCCCN)c1
InChIInChI=1S/C19H32N4O2/c1-23-11-6-7-18(23)16-13-17(15-21-14-16)25-12-10-22-19(24)8-4-2-3-5-9-20/h13-15,18H,2-12,20H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyLFPVZNINDSQDOI-SFHVURJKSA-N
XLogP2.25
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide (CID 58537445) is 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide is CN1CCC[C@H]1c1cncc(OCCNC(=O)CCCCCCN)c1.
What is the InChIKey of 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide?
The InChIKey is LFPVZNINDSQDOI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-23-11-6-7-18(23)16-13-17(15-21-14-16)25-12-10-22-19(24)8-4-2-3-5-9-20/h13-15,18H,2-12,20H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide?
7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide has a molecular weight of 348.49 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide is sourced from PubChem (CID 58537445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).