2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide

C17H19FN2O3 — CID 97256121

IUPAC2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3/c1-11(20-17(21)13-8-9-19-15(18)10-13)16(23-3)12-4-6-14(22-2)7-5-12/h4-11,16H,1-3H3,(H,20,21)/t11-,16+/m0/s1
InChIKeyRGQTUCONVLLPFZ-MEDUHNTESA-N
MW318.35 g/mol
LogP2.74
Rot. Bonds6

About 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide

2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 97256121) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
PubChem CID97256121
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccnc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3/c1-11(20-17(21)13-8-9-19-15(18)10-13)16(23-3)12-4-6-14(22-2)7-5-12/h4-11,16H,1-3H3,(H,20,21)/t11-,16+/m0/s1
InChIKeyRGQTUCONVLLPFZ-MEDUHNTESA-N
XLogP2.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethoxy)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]pyridine-4-carboxamide
CID 154841281
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
5-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl]furan-3-carboxylic acid
CID 120552499
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97256126
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide (CID 97256121) is 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide is COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccnc(F)c2)cc1.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is RGQTUCONVLLPFZ-MEDUHNTESA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(20-17(21)13-8-9-19-15(18)10-13)16(23-3)12-4-6-14(22-2)7-5-12/h4-11,16H,1-3H3,(H,20,21)/t11-,16+/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97256121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).