N-(5-iodopentyl)pyridine-3-carboxamide

C11H15IN2O — CID 107322434

IUPACN-(5-iodopentyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCI)c1cccnc1
InChIInChI=1S/C11H15IN2O/c12-6-2-1-3-8-14-11(15)10-5-4-7-13-9-10/h4-5,7,9H,1-3,6,8H2,(H,14,15)
InChIKeyFCYVXJYJNDTGMW-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.42
Rot. Bonds6

About N-(5-iodopentyl)pyridine-3-carboxamide

N-(5-iodopentyl)pyridine-3-carboxamide (PubChem CID 107322434) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is N-(5-iodopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-iodopentyl)pyridine-3-carboxamide
PubChem CID107322434
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC NameN-(5-iodopentyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCI)c1cccnc1
InChIInChI=1S/C11H15IN2O/c12-6-2-1-3-8-14-11(15)10-5-4-7-13-9-10/h4-5,7,9H,1-3,6,8H2,(H,14,15)
InChIKeyFCYVXJYJNDTGMW-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide
CID 121405803
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-iodopentyl)pyridine-3-carboxamide (CID 107322434) is N-(5-iodopentyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-iodopentyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-iodopentyl)pyridine-3-carboxamide is O=C(NCCCCCI)c1cccnc1.
What is the InChIKey of N-(5-iodopentyl)pyridine-3-carboxamide?
The InChIKey is FCYVXJYJNDTGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c12-6-2-1-3-8-14-11(15)10-5-4-7-13-9-10/h4-5,7,9H,1-3,6,8H2,(H,14,15).
What are the key properties of N-(5-iodopentyl)pyridine-3-carboxamide?
N-(5-iodopentyl)pyridine-3-carboxamide has a molecular weight of 318.16 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 107322434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).