N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide

C15H14FIN2O4 — CID 163863408

IUPACN-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NO[C@@H](O)CO)c1ccncc1Cc1ccc(I)cc1F
InChIInChI=1S/C15H14FIN2O4/c16-13-6-11(17)2-1-9(13)5-10-7-18-4-3-12(10)15(22)19-23-14(21)8-20/h1-4,6-7,14,20-21H,5,8H2,(H,19,22)/t14-/m1/s1
InChIKeyPENRHRSYYWMIPO-CQSZACIVSA-N
MW432.19 g/mol
LogP1.39
Rot. Bonds6

About N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide

N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide (PubChem CID 163863408) has the molecular formula C15H14FIN2O4 and a molecular weight of 432.19 g/mol. Its IUPAC name is N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
PubChem CID163863408
Molecular FormulaC15H14FIN2O4
Molecular Weight432.19 g/mol
Exact Mass432.00
IUPAC NameN-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NO[C@@H](O)CO)c1ccncc1Cc1ccc(I)cc1F
InChIInChI=1S/C15H14FIN2O4/c16-13-6-11(17)2-1-9(13)5-10-7-18-4-3-12(10)15(22)19-23-14(21)8-20/h1-4,6-7,14,20-21H,5,8H2,(H,19,22)/t14-/m1/s1
InChIKeyPENRHRSYYWMIPO-CQSZACIVSA-N
XLogP1.39
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.19
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-4,5-dihydroxypentan-1-one
CID 58431489
3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 58431576
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanone
CID 58431569
N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide;N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 159528212
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanone
CID 58431558
3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 161217817
3-[(4-iodo-2-methylphenyl)methyl]-N-methylsulfonylpyridine-4-carboxamide
CID 58431453
2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 58431460
3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide
CID 141254692
1-[1-[3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carbonyl]piperidin-4-yl]-3-(4-methylphenyl)propan-2-one
CID 58431486
1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 123161844
[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide (CID 163863408) is N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide is O=C(NO[C@@H](O)CO)c1ccncc1Cc1ccc(I)cc1F.
What is the InChIKey of N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is PENRHRSYYWMIPO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14FIN2O4/c16-13-6-11(17)2-1-9(13)5-10-7-18-4-3-12(10)15(22)19-23-14(21)8-20/h1-4,6-7,14,20-21H,5,8H2,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 432.19 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 163863408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).