2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide

C18H26N4O3 — CID 170635578

IUPAC2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide
SMILESCc1ncc(NC(=O)CC2CCCN2CC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H26N4O3/c1-13-17(22(24)25)9-15(11-19-13)20-18(23)10-16-7-4-8-21(16)12-14-5-2-3-6-14/h9,11,14,16H,2-8,10,12H2,1H3,(H,20,23)
InChIKeyLNFFEEJXSNINTE-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.28
Rot. Bonds6

About 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide

2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide (PubChem CID 170635578) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide
PubChem CID170635578
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide
SMILESCc1ncc(NC(=O)CC2CCCN2CC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H26N4O3/c1-13-17(22(24)25)9-15(11-19-13)20-18(23)10-16-7-4-8-21(16)12-14-5-2-3-6-14/h9,11,14,16H,2-8,10,12H2,1H3,(H,20,23)
InChIKeyLNFFEEJXSNINTE-UHFFFAOYSA-N
XLogP3.28
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide?
The IUPAC name of 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide (CID 170635578) is 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide is Cc1ncc(NC(=O)CC2CCCN2CC2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide?
The InChIKey is LNFFEEJXSNINTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-17(22(24)25)9-15(11-19-13)20-18(23)10-16-7-4-8-21(16)12-14-5-2-3-6-14/h9,11,14,16H,2-8,10,12H2,1H3,(H,20,23).
What are the key properties of 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide?
2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)pyrrolidin-2-yl]-N-(6-methyl-5-nitro-3-pyridinyl)acetamide is sourced from PubChem (CID 170635578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).