ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen

C28H33FN4O2 — CID 171635959

IUPACethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen
SMILESC=C(NCc1ccc(F)cc1)c1cccc(Oc2ccnc(NC(=O)C3=CCN=C3)c2)c1C.CC.[H][H].[H][H]
InChIInChI=1S/C26H23FN4O2.C2H6.2H2/c1-17-23(18(2)30-15-19-6-8-21(27)9-7-19)4-3-5-24(17)33-22-11-13-29-25(14-22)31-26(32)20-10-12-28-16-20;1-2;;/h3-11,13-14,16,30H,2,12,15H2,1H3,(H,29,31,32);1-2H3;2*1H
InChIKeyNRIUVWHIWCBHGR-UHFFFAOYSA-N
MW476.60 g/mol
LogP6.55
Rot. Bonds8

About ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen

ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen (PubChem CID 171635959) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen
PubChem CID171635959
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC Nameethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen
SMILESC=C(NCc1ccc(F)cc1)c1cccc(Oc2ccnc(NC(=O)C3=CCN=C3)c2)c1C.CC.[H][H].[H][H]
InChIInChI=1S/C26H23FN4O2.C2H6.2H2/c1-17-23(18(2)30-15-19-6-8-21(27)9-7-19)4-3-5-24(17)33-22-11-13-29-25(14-22)31-26(32)20-10-12-28-16-20;1-2;;/h3-11,13-14,16,30H,2,12,15H2,1H3,(H,29,31,32);1-2H3;2*1H
InChIKeyNRIUVWHIWCBHGR-UHFFFAOYSA-N
XLogP6.55
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-[(4-fluorophenyl)methyl]-2-methyl-3-[[2-[1-(2H-pyrrol-5-yl)ethenylamino]-4-pyridinyl]oxy]benzamide
CID 171635221
ethane;2-methyl-N-[4-[2-methyl-3-[1-[(6-methyl-3-pyridinyl)methylamino]ethenyl]phenoxy]-2-pyridinyl]pyrazole-3-carboxamide
CID 171635503
ethane;(E)-2-ethenyl-N-[4-[3-[1-[(3-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]pent-2-enamide
CID 171635508
(2E)-N-[4-[3-[1-[(3-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2-(2-methyliminoethylidene)pentanamide
CID 171635539
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-3-[[2-(2H-pyrrol-4-ylamino)-4-pyridinyl]oxy]benzamide
CID 171635795
N-[(3,5-difluorophenyl)methyl]-3-[[2-[[(Z,2E)-2-ethylidenepent-3-enoyl]amino]-4-pyridinyl]oxy]-2-methylbenzamide;ethane
CID 171635153
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
N-[(3,5-difluorophenyl)methyl]-1-[2-methyl-3-[[2-(2-propan-2-yl-1,5-dihydropyrazol-4-yl)-4-pyridinyl]oxy]phenyl]ethenamine
CID 171635118
N-[(4-fluorophenyl)methyl]-2-methyl-3-[[2-[(E)-1-methyliminobut-2-en-2-yl]-4-pyridinyl]oxy]benzamide
CID 171635273
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
N-[4-[3-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-2-methyl-2H-pyrrole-5-carboxamide
CID 171634935

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen (CID 171635959) is ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen is C=C(NCc1ccc(F)cc1)c1cccc(Oc2ccnc(NC(=O)C3=CCN=C3)c2)c1C.CC.[H][H].[H][H].
What is the InChIKey of ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen?
The InChIKey is NRIUVWHIWCBHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2.C2H6.2H2/c1-17-23(18(2)30-15-19-6-8-21(27)9-7-19)4-3-5-24(17)33-22-11-13-29-25(14-22)31-26(32)20-10-12-28-16-20;1-2;;/h3-11,13-14,16,30H,2,12,15H2,1H3,(H,29,31,32);1-2H3;2*1H.
What are the key properties of ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen?
ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen has a molecular weight of 476.60 g/mol, XLogP of 6.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[3-[1-[(4-fluorophenyl)methylamino]ethenyl]-2-methylphenoxy]-2-pyridinyl]-2H-pyrrole-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 171635959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).