N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide

C12H13IN2O — CID 97244956

IUPACN-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC=CCC1)c1cncc(I)c1
InChIInChI=1S/C12H13IN2O/c13-10-6-9(7-14-8-10)12(16)15-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5H2,(H,15,16)/t11-/m1/s1
InChIKeyHTEZIDHTDZKDHP-LLVKDONJSA-N
MW328.15 g/mol
LogP2.52
Rot. Bonds2

About N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide

N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide (PubChem CID 97244956) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide
PubChem CID97244956
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC NameN-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC=CCC1)c1cncc(I)c1
InChIInChI=1S/C12H13IN2O/c13-10-6-9(7-14-8-10)12(16)15-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5H2,(H,15,16)/t11-/m1/s1
InChIKeyHTEZIDHTDZKDHP-LLVKDONJSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide?
The IUPAC name of N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide (CID 97244956) is N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide is O=C(N[C@@H]1CC=CCC1)c1cncc(I)c1.
What is the InChIKey of N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide?
The InChIKey is HTEZIDHTDZKDHP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13IN2O/c13-10-6-9(7-14-8-10)12(16)15-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5H2,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide?
N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide has a molecular weight of 328.15 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclohex-3-en-1-yl]-5-iodopyridine-3-carboxamide is sourced from PubChem (CID 97244956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).