cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide

C10H10IN3O3 — CID 95990662

IUPACcis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
SMILESCc1cc(I)cnc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C10H10IN3O3/c1-5-2-6(11)4-12-9(5)13-10(15)7-3-8(7)14(16)17/h2,4,7-8H,3H2,1H3,(H,12,13,15)/t7-,8+/m0/s1
InChIKeyNFIFEXCHIZUCGG-JGVFFNPUSA-N
MW347.11 g/mol
LogP1.60
Rot. Bonds3

About cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide

cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide (PubChem CID 95990662) has the molecular formula C10H10IN3O3 and a molecular weight of 347.11 g/mol. Its IUPAC name is cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
PubChem CID95990662
Molecular FormulaC10H10IN3O3
Molecular Weight347.11 g/mol
Exact Mass346.98
IUPAC Namecis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
SMILESCc1cc(I)cnc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C10H10IN3O3/c1-5-2-6(11)4-12-9(5)13-10(15)7-3-8(7)14(16)17/h2,4,7-8H,3H2,1H3,(H,12,13,15)/t7-,8+/m0/s1
InChIKeyNFIFEXCHIZUCGG-JGVFFNPUSA-N
XLogP1.60
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide (CID 95990662) is cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide is Cc1cc(I)cnc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-].
What is the InChIKey of cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
The InChIKey is NFIFEXCHIZUCGG-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H10IN3O3/c1-5-2-6(11)4-12-9(5)13-10(15)7-3-8(7)14(16)17/h2,4,7-8H,3H2,1H3,(H,12,13,15)/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide has a molecular weight of 347.11 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide is sourced from PubChem (CID 95990662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).