2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide

C12H16ClN3O — CID 82767561

IUPAC2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)n2)CCCC1N
InChIInChI=1S/C12H16ClN3O/c1-12(7-3-4-8(12)14)11(17)16-10-6-2-5-9(13)15-10/h2,5-6,8H,3-4,7,14H2,1H3,(H,15,16,17)
InChIKeyBAYBGBSXIVAPAG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.19
Rot. Bonds2

About 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82767561) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82767561
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(Cl)n2)CCCC1N
InChIInChI=1S/C12H16ClN3O/c1-12(7-3-4-8(12)14)11(17)16-10-6-2-5-9(13)15-10/h2,5-6,8H,3-4,7,14H2,1H3,(H,15,16,17)
InChIKeyBAYBGBSXIVAPAG-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide (CID 82767561) is 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)Nc2cccc(Cl)n2)CCCC1N.
What is the InChIKey of 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is BAYBGBSXIVAPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(7-3-4-8(12)14)11(17)16-10-6-2-5-9(13)15-10/h2,5-6,8H,3-4,7,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82767561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).