4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C16H17FN2O2 — CID 174779367

IUPAC4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccnc([C@@H](C)c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C16H17FN2O2/c1-3-21-13-8-9-19-15(14(13)16(18)20)10(2)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H2,18,20)/t10-/m0/s1
InChIKeyUSNFABDMDXWPDQ-JTQLQIEISA-N
MW288.32 g/mol
LogP2.87
Rot. Bonds5

About 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 174779367) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID174779367
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ccnc([C@@H](C)c2ccc(F)cc2)c1C(N)=O
InChIInChI=1S/C16H17FN2O2/c1-3-21-13-8-9-19-15(14(13)16(18)20)10(2)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H2,18,20)/t10-/m0/s1
InChIKeyUSNFABDMDXWPDQ-JTQLQIEISA-N
XLogP2.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 141140568
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171868483
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185733
1-[(2-carbamoyl-4-ethoxy-3-pyridinyl)oxy]ethyl acetate
CID 146595236
1,1-bis(2-ethoxy-4-fluorophenyl)propan-2-yl propanoate
CID 170226838
2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 174779367) is 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is CCOc1ccnc([C@@H](C)c2ccc(F)cc2)c1C(N)=O.
What is the InChIKey of 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is USNFABDMDXWPDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-21-13-8-9-19-15(14(13)16(18)20)10(2)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H2,18,20)/t10-/m0/s1.
What are the key properties of 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 174779367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).