(3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide

C19H13F3IN3O — CID 118163236

IUPAC(3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide
SMILESO=C(C[C@H](c1ccc(F)cc1)c1ccncc1F)Nc1cncc(F)c1I
InChIInChI=1S/C19H13F3IN3O/c20-12-3-1-11(2-4-12)14(13-5-6-24-8-15(13)21)7-18(27)26-17-10-25-9-16(22)19(17)23/h1-6,8-10,14H,7H2,(H,26,27)/t14-/m1/s1
InChIKeyXKEQFYWDOAAEOH-CQSZACIVSA-N
MW483.23 g/mol
LogP4.66
Rot. Bonds5

About (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide

(3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide (PubChem CID 118163236) has the molecular formula C19H13F3IN3O and a molecular weight of 483.23 g/mol. Its IUPAC name is (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide.

Molecular Properties

Compound Name(3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide
PubChem CID118163236
Molecular FormulaC19H13F3IN3O
Molecular Weight483.23 g/mol
Exact Mass483.01
IUPAC Name(3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide
SMILESO=C(C[C@H](c1ccc(F)cc1)c1ccncc1F)Nc1cncc(F)c1I
InChIInChI=1S/C19H13F3IN3O/c20-12-3-1-11(2-4-12)14(13-5-6-24-8-15(13)21)7-18(27)26-17-10-25-9-16(22)19(17)23/h1-6,8-10,14H,7H2,(H,26,27)/t14-/m1/s1
InChIKeyXKEQFYWDOAAEOH-CQSZACIVSA-N
XLogP4.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanal
CID 90046541
(3S)-N-[4-[2-[(2R,5R)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)morpholin-2-yl]ethyl]-5-fluoro-3-pyridinyl]-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide
CID 118163611
N-[2-[2-[5-(1H-benzimidazol-2-yl)morpholin-2-yl]ethyl]-3-fluorophenyl]-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide
CID 123489485
ethane;(3S)-N-[3-fluoro-2-[2-[(2R,5R)-5-methylmorpholin-2-yl]ethyl]phenyl]-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide;methyl N-(2,2-difluoropropyl)carbamate
CID 144589407
[(4-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105192724
(2R)-4-(2,3-dichloroanilino)-2-(4-fluorophenyl)-4-oxobutanoic acid
CID 25470489
3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
CID 107594988
[(3R,6R)-6-[2-[3-[3,3-bis(4-fluorophenyl)propanoylamino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methylcarbamic acid
CID 90046658
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 55148535
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide?
The IUPAC name of (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide (CID 118163236) is (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide.
What is the SMILES notation for (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide?
The canonical SMILES for (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide is O=C(C[C@H](c1ccc(F)cc1)c1ccncc1F)Nc1cncc(F)c1I.
What is the InChIKey of (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide?
The InChIKey is XKEQFYWDOAAEOH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H13F3IN3O/c20-12-3-1-11(2-4-12)14(13-5-6-24-8-15(13)21)7-18(27)26-17-10-25-9-16(22)19(17)23/h1-6,8-10,14H,7H2,(H,26,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide?
(3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide has a molecular weight of 483.23 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-fluoro-4-iodo-3-pyridinyl)-3-(4-fluorophenyl)-3-(3-fluoro-4-pyridinyl)propanamide is sourced from PubChem (CID 118163236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).