1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide

C13H20N4O — CID 54925096

IUPAC1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1(N)CCCC1
InChIInChI=1S/C13H20N4O/c1-17(2)11-10(6-5-9-15-11)16-12(18)13(14)7-3-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,16,18)
InChIKeyHEIKZPZHVNHPLU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.36
Rot. Bonds3

About 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide

1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 54925096) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide
PubChem CID54925096
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1(N)CCCC1
InChIInChI=1S/C13H20N4O/c1-17(2)11-10(6-5-9-15-11)16-12(18)13(14)7-3-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,16,18)
InChIKeyHEIKZPZHVNHPLU-UHFFFAOYSA-N
XLogP1.36
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide (CID 54925096) is 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide is CN(C)c1ncccc1NC(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide?
The InChIKey is HEIKZPZHVNHPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(2)11-10(6-5-9-15-11)16-12(18)13(14)7-3-4-8-13/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,16,18).
What are the key properties of 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide?
1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 54925096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).