6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide

C22H27FN4O2 — CID 133454326

IUPAC6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(C)c2cc(F)ccc2N2CCC(O)CC2)nc1
InChIInChI=1S/C22H27FN4O2/c1-3-10-24-22(29)16-4-7-21(25-14-16)26-15(2)19-13-17(23)5-6-20(19)27-11-8-18(28)9-12-27/h3-7,13-15,18,28H,1,8-12H2,2H3,(H,24,29)(H,25,26)
InChIKeySBKQNHZDPAPEBD-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.27
Rot. Bonds7

About 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide

6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133454326) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133454326
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(C)c2cc(F)ccc2N2CCC(O)CC2)nc1
InChIInChI=1S/C22H27FN4O2/c1-3-10-24-22(29)16-4-7-21(25-14-16)26-15(2)19-13-17(23)5-6-20(19)27-11-8-18(28)9-12-27/h3-7,13-15,18,28H,1,8-12H2,2H3,(H,24,29)(H,25,26)
InChIKeySBKQNHZDPAPEBD-UHFFFAOYSA-N
XLogP3.27
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273746
1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
CID 139003399
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 126797853
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 97020577
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
CID 133454278
2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
1-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95760155
6-(3-hydroxy-4-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133446605
6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133350466
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792

Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 133454326) is 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NC(C)c2cc(F)ccc2N2CCC(O)CC2)nc1.
What is the InChIKey of 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is SBKQNHZDPAPEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-3-10-24-22(29)16-4-7-21(25-14-16)26-15(2)19-13-17(23)5-6-20(19)27-11-8-18(28)9-12-27/h3-7,13-15,18,28H,1,8-12H2,2H3,(H,24,29)(H,25,26).
What are the key properties of 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133454326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).