4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide

C15H16IN3O3 — CID 133469940

IUPAC4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCC(O)COc1ccc(I)cc1
InChIInChI=1S/C15H16IN3O3/c16-10-1-3-12(4-2-10)22-9-11(20)7-19-14-5-6-18-8-13(14)15(17)21/h1-6,8,11,20H,7,9H2,(H2,17,21)(H,18,19)
InChIKeyBRHGUGDSNIEESU-UHFFFAOYSA-N
MW413.22 g/mol
LogP1.64
Rot. Bonds7

About 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide

4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide (PubChem CID 133469940) has the molecular formula C15H16IN3O3 and a molecular weight of 413.22 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide
PubChem CID133469940
Molecular FormulaC15H16IN3O3
Molecular Weight413.22 g/mol
Exact Mass413.02
IUPAC Name4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCC(O)COc1ccc(I)cc1
InChIInChI=1S/C15H16IN3O3/c16-10-1-3-12(4-2-10)22-9-11(20)7-19-14-5-6-18-8-13(14)15(17)21/h1-6,8,11,20H,7,9H2,(H2,17,21)(H,18,19)
InChIKeyBRHGUGDSNIEESU-UHFFFAOYSA-N
XLogP1.64
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.22
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 81243923
4-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133477197
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119768613
1-(2-chloro-4-iodoanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 107606298
4-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133468935
1-(4-iodophenoxy)propan-2-ol
CID 65277775
N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide
CID 119768618
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol
CID 107606464
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide (CID 133469940) is 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCC(O)COc1ccc(I)cc1.
What is the InChIKey of 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide?
The InChIKey is BRHGUGDSNIEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O3/c16-10-1-3-12(4-2-10)22-9-11(20)7-19-14-5-6-18-8-13(14)15(17)21/h1-6,8,11,20H,7,9H2,(H2,17,21)(H,18,19).
What are the key properties of 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide?
4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide has a molecular weight of 413.22 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133469940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).