3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide

C16H26N4O — CID 58537434

IUPAC3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide
SMILESCN1CCC[C@H]1c1cncc(CCCNC(=O)CCN)c1
InChIInChI=1S/C16H26N4O/c1-20-9-3-5-15(20)14-10-13(11-18-12-14)4-2-8-19-16(21)6-7-17/h10-12,15H,2-9,17H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyDCLJQWBIKFJVTD-HNNXBMFYSA-N
MW290.41 g/mol
LogP1.25
Rot. Bonds7

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

3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide (PubChem CID 58537434) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide
PubChem CID58537434
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide
SMILESCN1CCC[C@H]1c1cncc(CCCNC(=O)CCN)c1
InChIInChI=1S/C16H26N4O/c1-20-9-3-5-15(20)14-10-13(11-18-12-14)4-2-8-19-16(21)6-7-17/h10-12,15H,2-9,17H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyDCLJQWBIKFJVTD-HNNXBMFYSA-N
XLogP1.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide?
The IUPAC name of 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide (CID 58537434) is 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide is CN1CCC[C@H]1c1cncc(CCCNC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide?
The InChIKey is DCLJQWBIKFJVTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-20-9-3-5-15(20)14-10-13(11-18-12-14)4-2-8-19-16(21)6-7-17/h10-12,15H,2-9,17H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide?
3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]propanamide is sourced from PubChem (CID 58537434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).